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 | 228.89 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 238.81 | 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 | 63.41 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 96.67 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.59 | J mol-1 K-1 |
| Rotational | 115.36 | J mol-1 K-1 |
| Vibrational | 56.18 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 339.13 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -134.47 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.46 eV View
- 2 -2819.16 eV View
- 3 -303.03 eV View
- 4 -302.84 eV View
- 5 -301.15 eV View
- 6 -280.74 eV View
- 7 -280.48 eV View
- 8 -211.16 eV View
- 9 -211.01 eV View
- 10 -211.01 eV View
- 11 -210.89 eV View
- 12 -210.74 eV View
- 13 -210.74 eV View
- 14 -30.76 eV View
- 15 -28.41 eV View
- 16 -25.84 eV View
- 17 -23.97 eV View
- 18 -20.98 eV View
- 19 -17.40 eV View
- 20 -16.10 eV View
- 21 -15.67 eV View
- 22 -13.98 eV View
- 23 -13.77 eV View
- 24 -13.63 eV View
- 25 -11.76 eV View
- 26 -10.41 eV View
- 27 -10.11 eV View
- 28 -9.99 eV View
- 29 -9.75 eV View
- 30 9.07 eV View
- 31 11.55 eV View
- 32 15.23 eV View
- 33 16.58 eV View
- 34 17.44 eV View
- 35 18.18 eV View
- 36 19.25 eV View
- 37 19.76 eV View
- 38 19.90 eV View
- 39 20.33 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 72.52 cm-1 View
- 2 182.41 cm-1 View
- 3 205.84 cm-1 View
- 4 268.69 cm-1 View
- 5 347.68 cm-1 View
- 6 437.72 cm-1 View
- 7 661.17 cm-1 View
- 8 725.67 cm-1 View
- 9 886.02 cm-1 View
- 10 955.96 cm-1 View
- 11 1015.65 cm-1 View
- 12 1053.26 cm-1 View
- 13 1122.23 cm-1 View
- 14 1148.68 cm-1 View
- 15 1169.37 cm-1 View
- 16 1249.94 cm-1 View
- 17 1312.71 cm-1 View
- 18 1379.89 cm-1 View
- 19 1388.13 cm-1 View
- 20 1397.46 cm-1 View
- 21 1407.56 cm-1 View
- 22 2921.50 cm-1 View
- 23 3003.59 cm-1 View
- 24 3059.80 cm-1 View
- 25 3077.52 cm-1 View
- 26 3086.21 cm-1 View
- 27 3175.35 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 |