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 | 320.16 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 330.08 | 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 | 85.40 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 118.66 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.06 | J mol-1 K-1 |
| Rotational | 112.72 | J mol-1 K-1 |
| Vibrational | 53.55 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 332.33 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 34.22 | kJ mol-1 |
Molecular Orbitals
- 1 -1850.65 eV View
- 2 -417.01 eV View
- 3 -301.56 eV View
- 4 -300.99 eV View
- 5 -299.98 eV View
- 6 -298.76 eV View
- 7 -163.57 eV View
- 8 -109.85 eV View
- 9 -109.84 eV View
- 10 -109.84 eV View
- 11 -31.60 eV View
- 12 -26.57 eV View
- 13 -25.64 eV View
- 14 -21.59 eV View
- 15 -19.78 eV View
- 16 -17.97 eV View
- 17 -16.77 eV View
- 18 -15.26 eV View
- 19 -14.87 eV View
- 20 -14.46 eV View
- 21 -13.71 eV View
- 22 -12.92 eV View
- 23 -11.96 eV View
- 24 -11.05 eV View
- 25 -9.99 eV View
- 26 -9.80 eV View
- 27 -7.17 eV View
- 28 8.20 eV View
- 29 11.91 eV View
- 30 13.12 eV View
- 31 14.09 eV View
- 32 14.33 eV View
- 33 15.61 eV View
- 34 17.01 eV View
- 35 17.22 eV View
- 36 18.34 eV View
- 37 19.51 eV View
- 38 19.99 eV View
- 39 20.61 eV View
- 40 21.25 eV View
- 41 21.51 eV View
- 42 24.38 eV View
- 43 28.11 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 105.33 cm-1 View
- 2 233.04 cm-1 View
- 3 296.54 cm-1 View
- 4 350.22 cm-1 View
- 5 429.20 cm-1 View
- 6 489.25 cm-1 View
- 7 606.69 cm-1 View
- 8 621.20 cm-1 View
- 9 638.68 cm-1 View
- 10 675.60 cm-1 View
- 11 749.99 cm-1 View
- 12 768.11 cm-1 View
- 13 826.83 cm-1 View
- 14 847.39 cm-1 View
- 15 861.46 cm-1 View
- 16 901.38 cm-1 View
- 17 952.26 cm-1 View
- 18 978.27 cm-1 View
- 19 1035.87 cm-1 View
- 20 1051.64 cm-1 View
- 21 1086.94 cm-1 View
- 22 1115.41 cm-1 View
- 23 1139.36 cm-1 View
- 24 1199.70 cm-1 View
- 25 1226.81 cm-1 View
- 26 1298.51 cm-1 View
- 27 1367.75 cm-1 View
- 28 1394.50 cm-1 View
- 29 1406.42 cm-1 View
- 30 1822.70 cm-1 View
- 31 1923.36 cm-1 View
- 32 1937.00 cm-1 View
- 33 2928.50 cm-1 View
- 34 2992.54 cm-1 View
- 35 2995.97 cm-1 View
- 36 3023.59 cm-1 View
- 37 3099.88 cm-1 View
- 38 3102.61 cm-1 View
- 39 3367.32 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 |