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 | 156.50 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 166.41 | 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 | 63.05 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 96.31 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.41 | J mol-1 K-1 |
| Rotational | 112.10 | J mol-1 K-1 |
| Vibrational | 63.69 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 341.19 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -408.82 | kJ mol-1 |
Molecular Orbitals
- 1 -1086.97 eV View
- 2 -547.41 eV View
- 3 -547.40 eV View
- 4 -301.70 eV View
- 5 -299.75 eV View
- 6 -299.66 eV View
- 7 -72.99 eV View
- 8 -36.18 eV View
- 9 -36.11 eV View
- 10 -36.08 eV View
- 11 -34.32 eV View
- 12 -30.67 eV View
- 13 -26.60 eV View
- 14 -20.85 eV View
- 15 -17.03 eV View
- 16 -15.12 eV View
- 17 -14.03 eV View
- 18 -12.55 eV View
- 19 -12.39 eV View
- 20 -11.25 eV View
- 21 -8.21 eV View
- 22 -7.66 eV View
- 23 -6.33 eV View
- 24 -5.75 eV View
- 25 3.87 eV View
- 26 7.26 eV View
- 27 8.91 eV View
- 28 10.01 eV View
- 29 12.75 eV View
- 30 14.45 eV View
- 31 16.99 eV View
- 32 19.21 eV View
- 33 19.51 eV View
- 34 24.18 eV View
- 35 25.29 eV View
- 36 27.44 eV View
- 37 30.19 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 52.26 cm-1 View
- 2 108.30 cm-1 View
- 3 168.85 cm-1 View
- 4 319.85 cm-1 View
- 5 377.08 cm-1 View
- 6 480.35 cm-1 View
- 7 538.15 cm-1 View
- 8 636.10 cm-1 View
- 9 762.77 cm-1 View
- 10 914.32 cm-1 View
- 11 946.42 cm-1 View
- 12 1045.33 cm-1 View
- 13 1071.52 cm-1 View
- 14 1215.77 cm-1 View
- 15 1319.57 cm-1 View
- 16 1668.80 cm-1 View
- 17 1718.32 cm-1 View
- 18 1859.71 cm-1 View
- 19 3047.44 cm-1 View
- 20 3132.27 cm-1 View
- 21 3138.43 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 |