Molecule Viewer
Molecular Orbitals
- 1 -300.70 eV View
- 2 -300.34 eV View
- 3 -300.17 eV View
- 4 -300.16 eV View
- 5 -299.67 eV View
- 6 -299.56 eV View
- 7 -28.74 eV View
- 8 -26.95 eV View
- 9 -24.18 eV View
- 10 -23.88 eV View
- 11 -20.44 eV View
- 12 -19.17 eV View
- 13 -16.27 eV View
- 14 -15.66 eV View
- 15 -14.63 eV View
- 16 -14.27 eV View
- 17 -14.24 eV View
- 18 -13.95 eV View
- 19 -13.62 eV View
- 20 -12.51 eV View
- 21 -12.08 eV View
- 22 -11.63 eV View
- 23 -11.05 eV View
- 24 -7.78 eV View
- 25 8.82 eV View
- 26 15.48 eV View
- 27 16.78 eV View
- 28 17.78 eV View
- 29 18.34 eV View
- 30 18.50 eV View
- 31 19.41 eV View
- 32 19.41 eV View
- 33 19.71 eV View
- 34 19.74 eV View
- 35 20.27 eV View
- 36 20.43 eV View
- 37 20.79 eV View
- 38 21.20 eV View
- 39 21.48 eV View
- 40 21.74 eV View
- 41 26.02 eV View
- 42 29.03 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 62.87 cm-1 View
- 2 129.35 cm-1 View
- 3 164.22 cm-1 View
- 4 180.65 cm-1 View
- 5 186.71 cm-1 View
- 6 240.63 cm-1 View
- 7 342.04 cm-1 View
- 8 424.29 cm-1 View
- 9 497.85 cm-1 View
- 10 527.47 cm-1 View
- 11 861.46 cm-1 View
- 12 923.50 cm-1 View
- 13 932.13 cm-1 View
- 14 953.75 cm-1 View
- 15 963.20 cm-1 View
- 16 980.10 cm-1 View
- 17 996.54 cm-1 View
- 18 1029.34 cm-1 View
- 19 1117.65 cm-1 View
- 20 1136.60 cm-1 View
- 21 1155.09 cm-1 View
- 22 1184.18 cm-1 View
- 23 1209.73 cm-1 View
- 24 1243.45 cm-1 View
- 25 1287.22 cm-1 View
- 26 1357.89 cm-1 View
- 27 1392.39 cm-1 View
- 28 1397.22 cm-1 View
- 29 1401.35 cm-1 View
- 30 1404.88 cm-1 View
- 31 1405.79 cm-1 View
- 32 1407.79 cm-1 View
- 33 1410.86 cm-1 View
- 34 1411.90 cm-1 View
- 35 1433.35 cm-1 View
- 36 1891.00 cm-1 View
- 37 2868.86 cm-1 View
- 38 3037.67 cm-1 View
- 39 3038.85 cm-1 View
- 40 3069.94 cm-1 View
- 41 3076.12 cm-1 View
- 42 3079.35 cm-1 View
- 43 3080.27 cm-1 View
- 44 3085.98 cm-1 View
- 45 3087.02 cm-1 View
- 46 3169.76 cm-1 View
- 47 3179.50 cm-1 View
- 48 3180.78 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 17.07 | kJ mol-1 |
| Polar Solvation Energy | -2.29 | kJ mol-1 |
| Nonpolar Solvation Energy | 19.35 | kJ mol-1 |
| Surface Area | 105.61 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.09 | Debye |