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 | 402.88 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 412.80 | 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 | 129.41 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 162.66 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 172.04 | J mol-1 K-1 |
| Rotational | 127.43 | J mol-1 K-1 |
| Vibrational | 120.62 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 420.09 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -128.41 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.04 eV View
- 2 -552.37 eV View
- 3 -551.02 eV View
- 4 -304.09 eV View
- 5 -302.49 eV View
- 6 -301.81 eV View
- 7 -301.40 eV View
- 8 -301.19 eV View
- 9 -301.17 eV View
- 10 -299.34 eV View
- 11 -280.33 eV View
- 12 -210.75 eV View
- 13 -210.59 eV View
- 14 -210.59 eV View
- 15 -37.93 eV View
- 16 -34.61 eV View
- 17 -30.86 eV View
- 18 -28.68 eV View
- 19 -27.35 eV View
- 20 -25.42 eV View
- 21 -22.79 eV View
- 22 -22.35 eV View
- 23 -20.23 eV View
- 24 -18.89 eV View
- 25 -17.17 eV View
- 26 -16.43 eV View
- 27 -16.08 eV View
- 28 -15.95 eV View
- 29 -15.32 eV View
- 30 -15.08 eV View
- 31 -14.55 eV View
- 32 -14.03 eV View
- 33 -13.70 eV View
- 34 -12.92 eV View
- 35 -12.64 eV View
- 36 -11.97 eV View
- 37 -11.40 eV View
- 38 -9.84 eV View
- 39 -9.65 eV View
- 40 -9.47 eV View
- 41 -9.29 eV View
- 42 -7.15 eV View
- 43 6.00 eV View
- 44 8.18 eV View
- 45 10.90 eV View
- 46 14.60 eV View
- 47 14.87 eV View
- 48 15.54 eV View
- 49 15.88 eV View
- 50 16.76 eV View
- 51 17.64 eV View
- 52 17.89 eV View
- 53 18.38 eV View
- 54 18.93 eV View
- 55 19.40 eV View
- 56 19.61 eV View
- 57 20.41 eV View
- 58 20.51 eV View
- 59 21.08 eV View
- 60 21.57 eV View
- 61 22.57 eV View
- 62 24.55 eV View
- 63 27.01 eV View