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 | 578.59 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 588.51 | 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 | 141.97 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 175.22 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.84 | J mol-1 K-1 |
| Rotational | 124.48 | J mol-1 K-1 |
| Vibrational | 123.89 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 418.21 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -532.73 | kJ mol-1 |
Molecular Orbitals
- 1 -704.93 eV View
- 2 -550.99 eV View
- 3 -302.24 eV View
- 4 -301.77 eV View
- 5 -300.84 eV View
- 6 -300.64 eV View
- 7 -300.60 eV View
- 8 -300.50 eV View
- 9 -300.35 eV View
- 10 -40.31 eV View
- 11 -35.23 eV View
- 12 -29.04 eV View
- 13 -27.38 eV View
- 14 -25.46 eV View
- 15 -23.81 eV View
- 16 -22.30 eV View
- 17 -21.49 eV View
- 18 -19.54 eV View
- 19 -17.45 eV View
- 20 -16.96 eV View
- 21 -16.35 eV View
- 22 -16.02 eV View
- 23 -15.26 eV View
- 24 -15.04 eV View
- 25 -14.61 eV View
- 26 -13.90 eV View
- 27 -13.63 eV View
- 28 -13.36 eV View
- 29 -13.34 eV View
- 30 -12.90 eV View
- 31 -12.45 eV View
- 32 -12.36 eV View
- 33 -11.63 eV View
- 34 -10.95 eV View
- 35 -10.15 eV View
- 36 -10.00 eV View
- 37 -9.37 eV View
- 38 14.35 eV View
- 39 14.81 eV View
- 40 15.41 eV View
- 41 16.21 eV View
- 42 16.86 eV View
- 43 17.02 eV View
- 44 17.34 eV View
- 45 18.25 eV View
- 46 18.32 eV View
- 47 18.57 eV View
- 48 18.76 eV View
- 49 19.48 eV View
- 50 19.52 eV View
- 51 19.84 eV View
- 52 20.17 eV View
- 53 20.44 eV View
- 54 20.82 eV View
- 55 21.42 eV View
- 56 21.55 eV View
- 57 21.75 eV View
- 58 22.79 eV View
- 59 22.93 eV View
- 60 23.50 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 65.51 cm-1 View
- 2 92.50 cm-1 View
- 3 145.06 cm-1 View
- 4 150.79 cm-1 View
- 5 206.92 cm-1 View
- 6 229.06 cm-1 View
- 7 240.40 cm-1 View
- 8 272.63 cm-1 View
- 9 319.20 cm-1 View
- 10 322.72 cm-1 View
- 11 335.64 cm-1 View
- 12 414.84 cm-1 View
- 13 454.53 cm-1 View
- 14 487.26 cm-1 View
- 15 566.78 cm-1 View
- 16 647.57 cm-1 View
- 17 792.93 cm-1 View
- 18 839.53 cm-1 View
- 19 903.54 cm-1 View
- 20 967.62 cm-1 View
- 21 979.28 cm-1 View
- 22 988.39 cm-1 View
- 23 1039.94 cm-1 View
- 24 1067.44 cm-1 View
- 25 1088.57 cm-1 View
- 26 1099.05 cm-1 View
- 27 1108.47 cm-1 View
- 28 1121.99 cm-1 View
- 29 1130.38 cm-1 View
- 30 1142.28 cm-1 View
- 31 1151.44 cm-1 View
- 32 1155.32 cm-1 View
- 33 1177.03 cm-1 View
- 34 1190.80 cm-1 View
- 35 1223.30 cm-1 View
- 36 1264.96 cm-1 View
- 37 1318.38 cm-1 View
- 38 1320.72 cm-1 View
- 39 1339.53 cm-1 View
- 40 1370.60 cm-1 View
- 41 1382.79 cm-1 View
- 42 1389.54 cm-1 View
- 43 1400.27 cm-1 View
- 44 1407.06 cm-1 View
- 45 1407.39 cm-1 View
- 46 1410.31 cm-1 View
- 47 1410.99 cm-1 View
- 48 1414.93 cm-1 View
- 49 1427.61 cm-1 View
- 50 1430.91 cm-1 View
- 51 1509.10 cm-1 View
- 52 2811.86 cm-1 View
- 53 2817.51 cm-1 View
- 54 2922.82 cm-1 View
- 55 2924.97 cm-1 View
- 56 2957.99 cm-1 View
- 57 2975.27 cm-1 View
- 58 3026.47 cm-1 View
- 59 3034.22 cm-1 View
- 60 3040.28 cm-1 View
- 61 3043.82 cm-1 View
- 62 3086.19 cm-1 View
- 63 3088.26 cm-1 View
- 64 3164.31 cm-1 View
- 65 3168.95 cm-1 View
- 66 3886.80 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 |