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 | 626.45 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 636.37 | 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 | 157.48 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 190.74 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.03 | J mol-1 K-1 |
| Rotational | 126.85 | J mol-1 K-1 |
| Vibrational | 152.68 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 449.56 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 108.15 | kJ mol-1 |
Molecular Orbitals
- 1 -300.54 eV View
- 2 -300.51 eV View
- 3 -300.49 eV View
- 4 -300.27 eV View
- 5 -299.96 eV View
- 6 -299.91 eV View
- 7 -299.86 eV View
- 8 -299.60 eV View
- 9 -299.54 eV View
- 10 -299.43 eV View
- 11 -29.17 eV View
- 12 -27.92 eV View
- 13 -26.97 eV View
- 14 -25.96 eV View
- 15 -24.67 eV View
- 16 -22.62 eV View
- 17 -21.20 eV View
- 18 -20.50 eV View
- 19 -19.36 eV View
- 20 -18.05 eV View
- 21 -16.54 eV View
- 22 -15.87 eV View
- 23 -15.71 eV View
- 24 -15.42 eV View
- 25 -15.36 eV View
- 26 -14.36 eV View
- 27 -13.98 eV View
- 28 -13.60 eV View
- 29 -13.37 eV View
- 30 -13.04 eV View
- 31 -12.47 eV View
- 32 -12.14 eV View
- 33 -11.75 eV View
- 34 -11.46 eV View
- 35 -10.88 eV View
- 36 -9.53 eV View
- 37 -8.25 eV View
- 38 -6.72 eV View
- 39 6.96 eV View
- 40 8.82 eV View
- 41 10.84 eV View
- 42 15.18 eV View
- 43 15.74 eV View
- 44 16.51 eV View
- 45 17.07 eV View
- 46 17.60 eV View
- 47 17.71 eV View
- 48 18.01 eV View
- 49 18.59 eV View
- 50 18.94 eV View
- 51 19.07 eV View
- 52 19.53 eV View
- 53 19.91 eV View
- 54 20.18 eV View
- 55 20.33 eV View
- 56 20.95 eV View
- 57 21.19 eV View
- 58 21.35 eV View
- 59 22.16 eV View
- 60 22.26 eV View
- 61 24.31 eV View
- 62 25.78 eV View
- 63 26.62 eV View
- 64 27.53 eV View
- 65 28.42 eV View
- 66 30.17 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 30.36 cm-1 View
- 2 55.40 cm-1 View
- 3 95.64 cm-1 View
- 4 105.28 cm-1 View
- 5 136.46 cm-1 View
- 6 175.37 cm-1 View
- 7 213.21 cm-1 View
- 8 245.12 cm-1 View
- 9 321.79 cm-1 View
- 10 323.84 cm-1 View
- 11 387.03 cm-1 View
- 12 401.92 cm-1 View
- 13 438.26 cm-1 View
- 14 471.79 cm-1 View
- 15 517.99 cm-1 View
- 16 603.92 cm-1 View
- 17 629.16 cm-1 View
- 18 707.50 cm-1 View
- 19 775.68 cm-1 View
- 20 866.72 cm-1 View
- 21 872.72 cm-1 View
- 22 902.39 cm-1 View
- 23 918.22 cm-1 View
- 24 947.89 cm-1 View
- 25 962.59 cm-1 View
- 26 968.90 cm-1 View
- 27 979.33 cm-1 View
- 28 1026.14 cm-1 View
- 29 1035.50 cm-1 View
- 30 1047.38 cm-1 View
- 31 1059.73 cm-1 View
- 32 1081.34 cm-1 View
- 33 1099.15 cm-1 View
- 34 1120.15 cm-1 View
- 35 1141.90 cm-1 View
- 36 1156.97 cm-1 View
- 37 1183.61 cm-1 View
- 38 1193.39 cm-1 View
- 39 1205.84 cm-1 View
- 40 1223.93 cm-1 View
- 41 1253.99 cm-1 View
- 42 1294.01 cm-1 View
- 43 1311.84 cm-1 View
- 44 1347.21 cm-1 View
- 45 1372.95 cm-1 View
- 46 1380.80 cm-1 View
- 47 1399.35 cm-1 View
- 48 1408.29 cm-1 View
- 49 1408.54 cm-1 View
- 50 1412.35 cm-1 View
- 51 1428.00 cm-1 View
- 52 1447.21 cm-1 View
- 53 1459.35 cm-1 View
- 54 1852.23 cm-1 View
- 55 1857.08 cm-1 View
- 56 1882.53 cm-1 View
- 57 2908.86 cm-1 View
- 58 2915.25 cm-1 View
- 59 2933.94 cm-1 View
- 60 2979.58 cm-1 View
- 61 2998.55 cm-1 View
- 62 3001.09 cm-1 View
- 63 3012.07 cm-1 View
- 64 3015.57 cm-1 View
- 65 3032.25 cm-1 View
- 66 3077.81 cm-1 View
- 67 3083.37 cm-1 View
- 68 3109.46 cm-1 View
- 69 3128.32 cm-1 View
- 70 3144.43 cm-1 View
- 71 3150.77 cm-1 View
- 72 3179.58 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 28.28 | kJ mol-1 |
| Polar Solvation Energy | -5.33 | kJ mol-1 |
| Nonpolar Solvation Energy | 33.61 | kJ mol-1 |
| Surface Area | 145.19 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.33 | Debye |