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 | 325.52 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 335.44 | 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 | 81.75 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 115.01 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 173.64 | J mol-1 K-1 |
| Rotational | 122.30 | J mol-1 K-1 |
| Vibrational | 73.40 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 369.35 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -100.86 | kJ mol-1 |
Molecular Orbitals
- 1 -13190.87 eV View
- 2 -2818.97 eV View
- 3 -1733.05 eV View
- 4 -1573.35 eV View
- 5 -1573.29 eV View
- 6 -1573.29 eV View
- 7 -302.52 eV View
- 8 -302.04 eV View
- 9 -301.11 eV View
- 10 -301.08 eV View
- 11 -300.93 eV View
- 12 -280.28 eV View
- 13 -249.91 eV View
- 14 -210.69 eV View
- 15 -210.54 eV View
- 16 -210.53 eV View
- 17 -187.19 eV View
- 18 -186.84 eV View
- 19 -186.83 eV View
- 20 -61.61 eV View
- 21 -61.48 eV View
- 22 -61.48 eV View
- 23 -61.12 eV View
- 24 -61.12 eV View
- 25 -31.05 eV View
- 26 -28.07 eV View
- 27 -26.57 eV View
- 28 -24.59 eV View
- 29 -22.94 eV View
- 30 -20.76 eV View
- 31 -19.31 eV View
- 32 -18.06 eV View
- 33 -16.77 eV View
- 34 -15.34 eV View
- 35 -14.51 eV View
- 36 -13.74 eV View
- 37 -13.21 eV View
- 38 -12.64 eV View
- 39 -12.59 eV View
- 40 -11.76 eV View
- 41 -10.41 eV View
- 42 -10.12 eV View
- 43 -9.67 eV View
- 44 -8.17 eV View
- 45 -7.39 eV View
- 46 8.30 eV View
- 47 11.61 eV View
- 48 14.38 eV View
- 49 14.99 eV View
- 50 15.44 eV View
- 51 16.54 eV View
- 52 17.37 eV View
- 53 19.09 eV View
- 54 19.89 eV View
- 55 20.02 eV View
- 56 20.34 eV View
- 57 20.71 eV View
- 58 21.37 eV View
- 59 21.51 eV View
- 60 22.29 eV View
- 61 2909.11 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 38.32 cm-1 View
- 2 83.86 cm-1 View
- 3 227.00 cm-1 View
- 4 297.73 cm-1 View
- 5 325.91 cm-1 View
- 6 362.42 cm-1 View
- 7 582.74 cm-1 View
- 8 652.76 cm-1 View
- 9 692.28 cm-1 View
- 10 739.12 cm-1 View
- 11 801.70 cm-1 View
- 12 908.75 cm-1 View
- 13 996.00 cm-1 View
- 14 1011.82 cm-1 View
- 15 1034.59 cm-1 View
- 16 1061.38 cm-1 View
- 17 1082.27 cm-1 View
- 18 1095.05 cm-1 View
- 19 1118.39 cm-1 View
- 20 1127.94 cm-1 View
- 21 1146.13 cm-1 View
- 22 1173.77 cm-1 View
- 23 1187.51 cm-1 View
- 24 1233.74 cm-1 View
- 25 1299.98 cm-1 View
- 26 1311.75 cm-1 View
- 27 1335.70 cm-1 View
- 28 1341.07 cm-1 View
- 29 1401.81 cm-1 View
- 30 1417.36 cm-1 View
- 31 1427.70 cm-1 View
- 32 2921.78 cm-1 View
- 33 2964.59 cm-1 View
- 34 2972.59 cm-1 View
- 35 2986.23 cm-1 View
- 36 2990.15 cm-1 View
- 37 3053.44 cm-1 View
- 38 3057.22 cm-1 View
- 39 3065.48 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 |