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 | 333.17 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 343.09 | 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 | 185.46 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 218.72 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 172.50 | J mol-1 K-1 |
| Rotational | 125.65 | J mol-1 K-1 |
| Vibrational | 172.06 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 470.21 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 15.34 | kJ mol-1 |
Molecular Orbitals
- 1 -1850.95 eV View
- 2 -1850.94 eV View
- 3 -1850.73 eV View
- 4 -1850.58 eV View
- 5 -1850.56 eV View
- 6 -299.39 eV View
- 7 -163.84 eV View
- 8 -163.82 eV View
- 9 -163.68 eV View
- 10 -163.56 eV View
- 11 -163.53 eV View
- 12 -110.15 eV View
- 13 -110.12 eV View
- 14 -110.11 eV View
- 15 -110.10 eV View
- 16 -110.08 eV View
- 17 -110.06 eV View
- 18 -109.96 eV View
- 19 -109.94 eV View
- 20 -109.94 eV View
- 21 -109.85 eV View
- 22 -109.82 eV View
- 23 -109.82 eV View
- 24 -109.80 eV View
- 25 -109.79 eV View
- 26 -109.78 eV View
- 27 -25.74 eV View
- 28 -20.06 eV View
- 29 -19.47 eV View
- 30 -18.95 eV View
- 31 -17.46 eV View
- 32 -17.07 eV View
- 33 -14.95 eV View
- 34 -14.03 eV View
- 35 -13.64 eV View
- 36 -13.32 eV View
- 37 -12.81 eV View
- 38 -11.84 eV View
- 39 -11.57 eV View
- 40 -10.92 eV View
- 41 -10.53 eV View
- 42 -10.46 eV View
- 43 -10.22 eV View
- 44 -9.64 eV View
- 45 -9.43 eV View
- 46 7.89 eV View
- 47 8.55 eV View
- 48 9.26 eV View
- 49 9.55 eV View
- 50 11.42 eV View
- 51 11.65 eV View
- 52 12.29 eV View
- 53 12.50 eV View
- 54 13.15 eV View
- 55 13.25 eV View
- 56 13.69 eV View
- 57 14.56 eV View
- 58 14.85 eV View
- 59 15.06 eV View
- 60 15.30 eV View
- 61 15.63 eV View
- 62 16.07 eV View
- 63 16.95 eV View
- 64 19.63 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 23.04 cm-1 View
- 2 71.94 cm-1 View
- 3 92.65 cm-1 View
- 4 95.51 cm-1 View
- 5 142.98 cm-1 View
- 6 156.94 cm-1 View
- 7 190.67 cm-1 View
- 8 275.04 cm-1 View
- 9 292.15 cm-1 View
- 10 325.73 cm-1 View
- 11 348.71 cm-1 View
- 12 400.39 cm-1 View
- 13 402.29 cm-1 View
- 14 433.91 cm-1 View
- 15 485.71 cm-1 View
- 16 525.89 cm-1 View
- 17 530.19 cm-1 View
- 18 549.85 cm-1 View
- 19 581.24 cm-1 View
- 20 588.95 cm-1 View
- 21 615.02 cm-1 View
- 22 617.08 cm-1 View
- 23 644.52 cm-1 View
- 24 644.69 cm-1 View
- 25 701.93 cm-1 View
- 26 741.61 cm-1 View
- 27 763.45 cm-1 View
- 28 776.07 cm-1 View
- 29 780.25 cm-1 View
- 30 835.96 cm-1 View
- 31 840.07 cm-1 View
- 32 842.07 cm-1 View
- 33 849.35 cm-1 View
- 34 852.13 cm-1 View
- 35 873.23 cm-1 View
- 36 965.57 cm-1 View
- 37 1014.53 cm-1 View
- 38 1014.69 cm-1 View
- 39 1051.39 cm-1 View
- 40 1082.54 cm-1 View
- 41 1894.47 cm-1 View
- 42 1895.00 cm-1 View
- 43 1914.73 cm-1 View
- 44 1915.14 cm-1 View
- 45 1922.58 cm-1 View
- 46 1928.96 cm-1 View
- 47 1929.44 cm-1 View
- 48 1930.82 cm-1 View
- 49 1932.94 cm-1 View
- 50 1938.44 cm-1 View
- 51 1940.53 cm-1 View
- 52 1951.69 cm-1 View
- 53 2003.32 cm-1 View
- 54 3040.36 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 |