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 | 146.65 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 156.57 | 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 | 94.77 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 128.03 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.74 | J mol-1 K-1 |
| Rotational | 118.41 | J mol-1 K-1 |
| Vibrational | 100.11 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 388.25 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -220.09 | kJ mol-1 |
Molecular Orbitals
- 1 -708.45 eV View
- 2 -708.32 eV View
- 3 -708.09 eV View
- 4 -554.84 eV View
- 5 -554.61 eV View
- 6 -554.50 eV View
- 7 -418.47 eV View
- 8 -307.17 eV View
- 9 -43.37 eV View
- 10 -42.65 eV View
- 11 -42.58 eV View
- 12 -36.83 eV View
- 13 -33.48 eV View
- 14 -32.66 eV View
- 15 -31.51 eV View
- 16 -21.85 eV View
- 17 -19.10 eV View
- 18 -18.84 eV View
- 19 -18.27 eV View
- 20 -17.11 eV View
- 21 -16.16 eV View
- 22 -15.95 eV View
- 23 -15.59 eV View
- 24 -15.17 eV View
- 25 -15.04 eV View
- 26 -14.41 eV View
- 27 -13.45 eV View
- 28 -12.81 eV View
- 29 -12.08 eV View
- 30 -11.32 eV View
- 31 -11.00 eV View
- 32 -10.84 eV View
- 33 -10.37 eV View
- 34 9.62 eV View
- 35 10.24 eV View
- 36 10.68 eV View
- 37 13.64 eV View
- 38 15.02 eV View
- 39 16.63 eV View
- 40 17.78 eV View
- 41 19.26 eV View
- 42 20.37 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 68.48 cm-1 View
- 2 89.35 cm-1 View
- 3 138.27 cm-1 View
- 4 154.87 cm-1 View
- 5 181.63 cm-1 View
- 6 232.37 cm-1 View
- 7 275.60 cm-1 View
- 8 322.77 cm-1 View
- 9 362.17 cm-1 View
- 10 448.68 cm-1 View
- 11 507.58 cm-1 View
- 12 686.79 cm-1 View
- 13 856.36 cm-1 View
- 14 973.33 cm-1 View
- 15 984.03 cm-1 View
- 16 997.91 cm-1 View
- 17 1012.53 cm-1 View
- 18 1053.41 cm-1 View
- 19 1228.23 cm-1 View
- 20 1324.32 cm-1 View
- 21 1395.28 cm-1 View
- 22 1642.64 cm-1 View
- 23 3410.15 cm-1 View
- 24 3525.43 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 |