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 | 161.62 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 171.54 | 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 | 88.85 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 122.11 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.54 | J mol-1 K-1 |
| Rotational | 111.21 | J mol-1 K-1 |
| Vibrational | 94.32 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 371.07 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -1423.04 | kJ mol-1 |
Molecular Orbitals
- 1 -1564.46 eV View
- 2 -540.88 eV View
- 3 -540.86 eV View
- 4 -540.86 eV View
- 5 -540.85 eV View
- 6 -121.84 eV View
- 7 -73.64 eV View
- 8 -73.64 eV View
- 9 -73.63 eV View
- 10 -26.27 eV View
- 11 -25.72 eV View
- 12 -25.71 eV View
- 13 -25.62 eV View
- 14 -9.36 eV View
- 15 -7.91 eV View
- 16 -7.85 eV View
- 17 -7.75 eV View
- 18 -4.12 eV View
- 19 -3.97 eV View
- 20 -3.26 eV View
- 21 -3.16 eV View
- 22 -2.56 eV View
- 23 -2.15 eV View
- 24 -2.11 eV View
- 25 -1.85 eV View
- 26 17.06 eV View
- 27 19.56 eV View
- 28 20.16 eV View
- 29 20.20 eV View
- 30 27.44 eV View
- 31 27.59 eV View
- 32 27.65 eV View
- 33 27.88 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 125.04 cm-1 View
- 2 130.14 cm-1 View
- 3 152.42 cm-1 View
- 4 159.80 cm-1 View
- 5 174.47 cm-1 View
- 6 211.41 cm-1 View
- 7 218.57 cm-1 View
- 8 222.05 cm-1 View
- 9 258.58 cm-1 View
- 10 689.08 cm-1 View
- 11 819.77 cm-1 View
- 12 826.64 cm-1 View
- 13 829.05 cm-1 View
- 14 890.53 cm-1 View
- 15 921.66 cm-1 View
- 16 950.31 cm-1 View
- 17 956.13 cm-1 View
- 18 3976.88 cm-1 View
- 19 3981.00 cm-1 View
- 20 3982.23 cm-1 View
- 21 3983.67 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 | -1 | |
| Dipole | 0.00 | Debye |