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 | 546.07 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 555.98 | 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 | 166.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 199.82 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 172.58 | J mol-1 K-1 |
| Rotational | 131.09 | J mol-1 K-1 |
| Vibrational | 191.92 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 495.59 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -405.45 | kJ mol-1 |
Molecular Orbitals
- 1 -2472.85 eV View
- 2 -705.24 eV View
- 3 -551.18 eV View
- 4 -417.20 eV View
- 5 -302.52 eV View
- 6 -302.27 eV View
- 7 -301.97 eV View
- 8 -301.72 eV View
- 9 -301.56 eV View
- 10 -301.34 eV View
- 11 -238.25 eV View
- 12 -173.94 eV View
- 13 -173.86 eV View
- 14 -173.78 eV View
- 15 -40.58 eV View
- 16 -35.38 eV View
- 17 -31.98 eV View
- 18 -27.41 eV View
- 19 -26.60 eV View
- 20 -25.42 eV View
- 21 -23.80 eV View
- 22 -21.76 eV View
- 23 -21.54 eV View
- 24 -19.74 eV View
- 25 -17.69 eV View
- 26 -17.42 eV View
- 27 -16.84 eV View
- 28 -16.05 eV View
- 29 -15.67 eV View
- 30 -15.53 eV View
- 31 -15.18 eV View
- 32 -14.96 eV View
- 33 -14.63 eV View
- 34 -14.36 eV View
- 35 -13.34 eV View
- 36 -12.78 eV View
- 37 -12.70 eV View
- 38 -12.44 eV View
- 39 -11.44 eV View
- 40 -11.04 eV View
- 41 -10.73 eV View
- 42 -10.48 eV View
- 43 -9.66 eV View
- 44 -8.00 eV View
- 45 -7.67 eV View
- 46 10.87 eV View
- 47 11.68 eV View
- 48 13.52 eV View
- 49 15.06 eV View
- 50 15.21 eV View
- 51 16.21 eV View
- 52 16.98 eV View
- 53 17.37 eV View
- 54 17.52 eV View
- 55 17.84 eV View
- 56 18.20 eV View
- 57 18.36 eV View
- 58 18.50 eV View
- 59 18.89 eV View
- 60 19.09 eV View
- 61 19.45 eV View
- 62 19.87 eV View
- 63 20.05 eV View
- 64 20.48 eV View
- 65 20.81 eV View
- 66 20.94 eV View
- 67 21.80 eV View
- 68 22.68 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 32.28 cm-1 View
- 2 43.84 cm-1 View
- 3 65.35 cm-1 View
- 4 74.38 cm-1 View
- 5 97.52 cm-1 View
- 6 99.90 cm-1 View
- 7 132.48 cm-1 View
- 8 156.25 cm-1 View
- 9 200.12 cm-1 View
- 10 206.37 cm-1 View
- 11 229.13 cm-1 View
- 12 300.88 cm-1 View
- 13 340.04 cm-1 View
- 14 390.87 cm-1 View
- 15 443.47 cm-1 View
- 16 515.46 cm-1 View
- 17 563.49 cm-1 View
- 18 702.56 cm-1 View
- 19 751.62 cm-1 View
- 20 798.65 cm-1 View
- 21 817.75 cm-1 View
- 22 857.77 cm-1 View
- 23 909.73 cm-1 View
- 24 928.40 cm-1 View
- 25 953.85 cm-1 View
- 26 991.05 cm-1 View
- 27 1010.24 cm-1 View
- 28 1038.54 cm-1 View
- 29 1043.31 cm-1 View
- 30 1061.56 cm-1 View
- 31 1074.70 cm-1 View
- 32 1086.82 cm-1 View
- 33 1120.03 cm-1 View
- 34 1128.01 cm-1 View
- 35 1149.55 cm-1 View
- 36 1162.72 cm-1 View
- 37 1170.14 cm-1 View
- 38 1204.03 cm-1 View
- 39 1229.72 cm-1 View
- 40 1255.77 cm-1 View
- 41 1298.71 cm-1 View
- 42 1329.25 cm-1 View
- 43 1337.72 cm-1 View
- 44 1356.49 cm-1 View
- 45 1362.55 cm-1 View
- 46 1372.22 cm-1 View
- 47 1379.69 cm-1 View
- 48 1380.39 cm-1 View
- 49 1390.90 cm-1 View
- 50 1394.18 cm-1 View
- 51 1418.93 cm-1 View
- 52 1516.69 cm-1 View
- 53 2861.88 cm-1 View
- 54 2905.23 cm-1 View
- 55 2913.92 cm-1 View
- 56 2928.27 cm-1 View
- 57 2960.56 cm-1 View
- 58 2966.57 cm-1 View
- 59 2974.35 cm-1 View
- 60 2984.01 cm-1 View
- 61 2994.25 cm-1 View
- 62 3008.36 cm-1 View
- 63 3097.08 cm-1 View
- 64 3106.52 cm-1 View
- 65 3193.66 cm-1 View
- 66 3905.04 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 |