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 | 345.19 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 355.10 | 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 | 94.69 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 127.94 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.74 | J mol-1 K-1 |
| Rotational | 119.60 | J mol-1 K-1 |
| Vibrational | 69.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 358.77 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -192.67 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.23 eV View
- 2 -551.44 eV View
- 3 -417.29 eV View
- 4 -302.78 eV View
- 5 -302.70 eV View
- 6 -302.25 eV View
- 7 -301.58 eV View
- 8 -301.23 eV View
- 9 -280.57 eV View
- 10 -210.97 eV View
- 11 -210.83 eV View
- 12 -210.83 eV View
- 13 -35.84 eV View
- 14 -32.52 eV View
- 15 -29.43 eV View
- 16 -27.27 eV View
- 17 -25.93 eV View
- 18 -23.05 eV View
- 19 -21.54 eV View
- 20 -19.10 eV View
- 21 -17.44 eV View
- 22 -16.66 eV View
- 23 -16.58 eV View
- 24 -15.86 eV View
- 25 -15.32 eV View
- 26 -14.70 eV View
- 27 -14.20 eV View
- 28 -13.16 eV View
- 29 -12.33 eV View
- 30 -11.34 eV View
- 31 -10.60 eV View
- 32 -10.24 eV View
- 33 -9.62 eV View
- 34 -9.38 eV View
- 35 -8.73 eV View
- 36 7.72 eV View
- 37 9.84 eV View
- 38 14.46 eV View
- 39 15.02 eV View
- 40 15.67 eV View
- 41 16.51 eV View
- 42 17.37 eV View
- 43 17.58 eV View
- 44 17.67 eV View
- 45 18.55 eV View
- 46 19.28 eV View
- 47 19.69 eV View
- 48 20.28 eV View
- 49 20.49 eV View
- 50 21.27 eV View
- 51 23.14 eV View
- 52 27.42 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 90.99 cm-1 View
- 2 131.99 cm-1 View
- 3 216.57 cm-1 View
- 4 297.74 cm-1 View
- 5 384.03 cm-1 View
- 6 400.20 cm-1 View
- 7 418.92 cm-1 View
- 8 471.01 cm-1 View
- 9 533.21 cm-1 View
- 10 569.15 cm-1 View
- 11 668.65 cm-1 View
- 12 768.33 cm-1 View
- 13 836.07 cm-1 View
- 14 905.36 cm-1 View
- 15 944.17 cm-1 View
- 16 960.92 cm-1 View
- 17 986.37 cm-1 View
- 18 1021.41 cm-1 View
- 19 1055.51 cm-1 View
- 20 1070.37 cm-1 View
- 21 1080.03 cm-1 View
- 22 1103.00 cm-1 View
- 23 1121.68 cm-1 View
- 24 1173.12 cm-1 View
- 25 1188.62 cm-1 View
- 26 1236.77 cm-1 View
- 27 1271.42 cm-1 View
- 28 1312.82 cm-1 View
- 29 1350.94 cm-1 View
- 30 1353.38 cm-1 View
- 31 1378.58 cm-1 View
- 32 1397.00 cm-1 View
- 33 1413.77 cm-1 View
- 34 1885.46 cm-1 View
- 35 2910.25 cm-1 View
- 36 2932.45 cm-1 View
- 37 2946.66 cm-1 View
- 38 2949.21 cm-1 View
- 39 3007.80 cm-1 View
- 40 3023.22 cm-1 View
- 41 3034.04 cm-1 View
- 42 3854.88 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 |