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 | 419.65 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 429.56 | 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 | 100.90 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 134.16 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.26 | J mol-1 K-1 |
| Rotational | 116.54 | J mol-1 K-1 |
| Vibrational | 71.59 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 355.39 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -49.38 | kJ mol-1 |
Molecular Orbitals
- 1 -2809.90 eV View
- 2 -423.64 eV View
- 3 -303.65 eV View
- 4 -303.14 eV View
- 5 -300.96 eV View
- 6 -300.96 eV View
- 7 -272.09 eV View
- 8 -202.42 eV View
- 9 -202.41 eV View
- 10 -202.37 eV View
- 11 -35.61 eV View
- 12 -26.94 eV View
- 13 -26.30 eV View
- 14 -25.56 eV View
- 15 -22.87 eV View
- 16 -21.34 eV View
- 17 -18.29 eV View
- 18 -18.26 eV View
- 19 -18.12 eV View
- 20 -16.17 eV View
- 21 -15.92 eV View
- 22 -14.84 eV View
- 23 -14.54 eV View
- 24 -14.05 eV View
- 25 -13.95 eV View
- 26 -13.64 eV View
- 27 -13.04 eV View
- 28 -5.26 eV View
- 29 -4.95 eV View
- 30 -4.57 eV View
- 31 12.38 eV View
- 32 13.07 eV View
- 33 13.85 eV View
- 34 13.92 eV View
- 35 16.57 eV View
- 36 16.67 eV View
- 37 17.31 eV View
- 38 17.98 eV View
- 39 18.02 eV View
- 40 18.68 eV View
- 41 18.93 eV View
- 42 19.06 eV View
- 43 19.37 eV View
- 44 19.62 eV View
- 45 20.22 eV View
- 46 21.08 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 126.73 cm-1 View
- 2 184.86 cm-1 View
- 3 237.64 cm-1 View
- 4 273.78 cm-1 View
- 5 275.91 cm-1 View
- 6 361.31 cm-1 View
- 7 369.57 cm-1 View
- 8 428.14 cm-1 View
- 9 466.27 cm-1 View
- 10 486.86 cm-1 View
- 11 506.91 cm-1 View
- 12 632.68 cm-1 View
- 13 879.86 cm-1 View
- 14 931.13 cm-1 View
- 15 933.00 cm-1 View
- 16 964.88 cm-1 View
- 17 978.81 cm-1 View
- 18 978.88 cm-1 View
- 19 989.68 cm-1 View
- 20 1035.35 cm-1 View
- 21 1045.71 cm-1 View
- 22 1210.91 cm-1 View
- 23 1230.49 cm-1 View
- 24 1240.46 cm-1 View
- 25 1256.03 cm-1 View
- 26 1278.64 cm-1 View
- 27 1334.88 cm-1 View
- 28 1338.95 cm-1 View
- 29 1357.02 cm-1 View
- 30 1362.11 cm-1 View
- 31 1370.09 cm-1 View
- 32 1374.40 cm-1 View
- 33 1380.30 cm-1 View
- 34 1382.39 cm-1 View
- 35 1395.54 cm-1 View
- 36 1399.01 cm-1 View
- 37 2022.72 cm-1 View
- 38 2235.15 cm-1 View
- 39 2955.22 cm-1 View
- 40 3047.40 cm-1 View
- 41 3051.16 cm-1 View
- 42 3054.50 cm-1 View
- 43 3062.98 cm-1 View
- 44 3064.76 cm-1 View
- 45 3105.87 cm-1 View
- 46 3106.51 cm-1 View
- 47 3111.64 cm-1 View
- 48 3134.16 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 |