Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 551.48 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 561.40 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 216.45 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 249.70 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 174.57 | J mol-1 K-1 |
| Rotational | 131.76 | J mol-1 K-1 |
| Vibrational | 239.73 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 546.07 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -1357.78 | kJ mol-1 |
Molecular Orbitals
- 1 -1852.68 eV View
- 2 -1852.49 eV View
- 3 -1851.63 eV View
- 4 -549.19 eV View
- 5 -549.13 eV View
- 6 -548.77 eV View
- 7 -299.56 eV View
- 8 -299.55 eV View
- 9 -299.52 eV View
- 10 -299.44 eV View
- 11 -165.29 eV View
- 12 -165.13 eV View
- 13 -164.49 eV View
- 14 -111.62 eV View
- 15 -111.56 eV View
- 16 -111.56 eV View
- 17 -111.44 eV View
- 18 -111.40 eV View
- 19 -111.40 eV View
- 20 -110.79 eV View
- 21 -110.76 eV View
- 22 -110.76 eV View
- 23 -33.99 eV View
- 24 -33.57 eV View
- 25 -32.96 eV View
- 26 -25.18 eV View
- 27 -24.98 eV View
- 28 -24.53 eV View
- 29 -24.16 eV View
- 30 -19.12 eV View
- 31 -17.80 eV View
- 32 -16.26 eV View
- 33 -15.44 eV View
- 34 -15.07 eV View
- 35 -15.04 eV View
- 36 -14.79 eV View
- 37 -14.59 eV View
- 38 -14.33 eV View
- 39 -14.20 eV View
- 40 -14.03 eV View
- 41 -13.41 eV View
- 42 -13.24 eV View
- 43 -13.07 eV View
- 44 -12.88 eV View
- 45 -12.70 eV View
- 46 -11.79 eV View
- 47 -11.52 eV View
- 48 -10.89 eV View
- 49 -9.71 eV View
- 50 -9.62 eV View
- 51 -8.99 eV View
- 52 -8.83 eV View
- 53 -8.52 eV View
- 54 9.34 eV View
- 55 10.04 eV View
- 56 11.55 eV View
- 57 12.14 eV View
- 58 12.69 eV View
- 59 12.73 eV View
- 60 13.28 eV View
- 61 13.37 eV View
- 62 13.86 eV View
- 63 14.08 eV View
- 64 14.48 eV View
- 65 16.49 eV View
- 66 16.63 eV View
- 67 17.41 eV View
- 68 19.14 eV View
- 69 19.51 eV View
- 70 19.62 eV View
- 71 19.68 eV View
- 72 20.17 eV View
- 73 20.27 eV View
- 74 20.35 eV View
- 75 20.56 eV View
- 76 21.46 eV View
- 77 23.91 eV View
- 78 24.49 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 14.10 cm-1 View
- 2 14.99 cm-1 View
- 3 18.92 cm-1 View
- 4 62.90 cm-1 View
- 5 73.95 cm-1 View
- 6 78.93 cm-1 View
- 7 86.03 cm-1 View
- 8 125.05 cm-1 View
- 9 130.20 cm-1 View
- 10 151.70 cm-1 View
- 11 158.45 cm-1 View
- 12 163.69 cm-1 View
- 13 168.41 cm-1 View
- 14 203.69 cm-1 View
- 15 227.41 cm-1 View
- 16 243.32 cm-1 View
- 17 258.84 cm-1 View
- 18 274.20 cm-1 View
- 19 284.46 cm-1 View
- 20 364.80 cm-1 View
- 21 401.42 cm-1 View
- 22 539.27 cm-1 View
- 23 559.80 cm-1 View
- 24 613.35 cm-1 View
- 25 620.23 cm-1 View
- 26 625.05 cm-1 View
- 27 627.90 cm-1 View
- 28 720.76 cm-1 View
- 29 759.42 cm-1 View
- 30 803.03 cm-1 View
- 31 805.66 cm-1 View
- 32 807.89 cm-1 View
- 33 828.56 cm-1 View
- 34 843.27 cm-1 View
- 35 854.84 cm-1 View
- 36 860.56 cm-1 View
- 37 871.60 cm-1 View
- 38 882.04 cm-1 View
- 39 888.14 cm-1 View
- 40 898.04 cm-1 View
- 41 928.28 cm-1 View
- 42 996.20 cm-1 View
- 43 1096.14 cm-1 View
- 44 1118.17 cm-1 View
- 45 1293.50 cm-1 View
- 46 1302.36 cm-1 View
- 47 1324.08 cm-1 View
- 48 1332.04 cm-1 View
- 49 1397.20 cm-1 View
- 50 1398.22 cm-1 View
- 51 1405.30 cm-1 View
- 52 1405.80 cm-1 View
- 53 1406.65 cm-1 View
- 54 1407.63 cm-1 View
- 55 1422.44 cm-1 View
- 56 1423.02 cm-1 View
- 57 1934.25 cm-1 View
- 58 1939.98 cm-1 View
- 59 1963.17 cm-1 View
- 60 3100.65 cm-1 View
- 61 3102.43 cm-1 View
- 62 3127.86 cm-1 View
- 63 3128.85 cm-1 View
- 64 3132.40 cm-1 View
- 65 3133.40 cm-1 View
- 66 3146.80 cm-1 View
- 67 3148.74 cm-1 View
- 68 3211.60 cm-1 View
- 69 3212.74 cm-1 View
- 70 3237.79 cm-1 View
- 71 3239.60 cm-1 View
- 72 3918.65 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.00 | kJ mol-1 |
| Polar Solvation Energy | 0.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 0.00 | kJ mol-1 |
| Surface Area | Å2 | |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |