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 | 415.12 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 425.04 | 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 | 126.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 159.70 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.89 | J mol-1 K-1 |
| Rotational | 129.41 | J mol-1 K-1 |
| Vibrational | 118.60 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 419.90 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -193.50 | kJ mol-1 |
Molecular Orbitals
- 1 -2473.88 eV View
- 2 -552.61 eV View
- 3 -551.76 eV View
- 4 -302.42 eV View
- 5 -302.26 eV View
- 6 -300.94 eV View
- 7 -300.89 eV View
- 8 -300.55 eV View
- 9 -300.12 eV View
- 10 -299.98 eV View
- 11 -239.25 eV View
- 12 -174.95 eV View
- 13 -174.87 eV View
- 14 -174.77 eV View
- 15 -36.61 eV View
- 16 -35.99 eV View
- 17 -28.92 eV View
- 18 -27.73 eV View
- 19 -26.39 eV View
- 20 -24.67 eV View
- 21 -22.77 eV View
- 22 -21.12 eV View
- 23 -19.38 eV View
- 24 -18.50 eV View
- 25 -17.43 eV View
- 26 -16.87 eV View
- 27 -16.37 eV View
- 28 -15.24 eV View
- 29 -14.99 eV View
- 30 -14.68 eV View
- 31 -14.16 eV View
- 32 -13.63 eV View
- 33 -13.22 eV View
- 34 -12.91 eV View
- 35 -12.32 eV View
- 36 -12.00 eV View
- 37 -11.88 eV View
- 38 -10.61 eV View
- 39 -9.14 eV View
- 40 -8.99 eV View
- 41 -8.27 eV View
- 42 -7.40 eV View
- 43 6.34 eV View
- 44 7.89 eV View
- 45 10.35 eV View
- 46 10.59 eV View
- 47 13.23 eV View
- 48 15.28 eV View
- 49 15.60 eV View
- 50 16.14 eV View
- 51 17.01 eV View
- 52 18.38 eV View
- 53 18.71 eV View
- 54 19.09 eV View
- 55 19.71 eV View
- 56 19.96 eV View
- 57 20.23 eV View
- 58 20.64 eV View
- 59 21.21 eV View
- 60 24.60 eV View
- 61 24.99 eV View
- 62 25.52 eV View
- 63 26.95 eV View
- 64 29.08 eV View