Molecule Viewer
Molecular Orbitals
- 1 -420.01 eV View
- 2 -417.95 eV View
- 3 -417.42 eV View
- 4 -417.21 eV View
- 5 -303.00 eV View
- 6 -302.92 eV View
- 7 -302.55 eV View
- 8 -302.13 eV View
- 9 -301.39 eV View
- 10 -35.21 eV View
- 11 -33.44 eV View
- 12 -31.03 eV View
- 13 -29.94 eV View
- 14 -26.82 eV View
- 15 -23.01 eV View
- 16 -22.02 eV View
- 17 -21.22 eV View
- 18 -19.41 eV View
- 19 -17.89 eV View
- 20 -16.40 eV View
- 21 -15.74 eV View
- 22 -15.65 eV View
- 23 -14.99 eV View
- 24 -14.61 eV View
- 25 -12.89 eV View
- 26 -11.24 eV View
- 27 -10.67 eV View
- 28 -9.81 eV View
- 29 -8.58 eV View
- 30 -8.20 eV View
- 31 -7.58 eV View
- 32 5.32 eV View
- 33 6.56 eV View
- 34 8.66 eV View
- 35 12.71 eV View
- 36 14.24 eV View
- 37 15.30 eV View
- 38 15.84 eV View
- 39 16.54 eV View
- 40 17.30 eV View
- 41 18.47 eV View
- 42 18.93 eV View
- 43 20.51 eV View
- 44 21.99 eV View
- 45 22.77 eV View
- 46 24.17 eV View
- 47 25.60 eV View
- 48 27.86 eV View
- 49 28.85 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 203.70 cm-1 View
- 2 217.56 cm-1 View
- 3 320.82 cm-1 View
- 4 418.64 cm-1 View
- 5 436.30 cm-1 View
- 6 524.49 cm-1 View
- 7 568.54 cm-1 View
- 8 570.67 cm-1 View
- 9 613.60 cm-1 View
- 10 751.79 cm-1 View
- 11 795.82 cm-1 View
- 12 836.20 cm-1 View
- 13 876.31 cm-1 View
- 14 893.56 cm-1 View
- 15 934.17 cm-1 View
- 16 954.85 cm-1 View
- 17 1030.18 cm-1 View
- 18 1050.04 cm-1 View
- 19 1089.83 cm-1 View
- 20 1168.71 cm-1 View
- 21 1173.11 cm-1 View
- 22 1337.56 cm-1 View
- 23 1349.15 cm-1 View
- 24 1389.34 cm-1 View
- 25 1461.67 cm-1 View
- 26 1575.78 cm-1 View
- 27 1614.86 cm-1 View
- 28 1725.51 cm-1 View
- 29 1755.75 cm-1 View
- 30 2988.14 cm-1 View
- 31 3038.30 cm-1 View
- 32 3050.68 cm-1 View
- 33 3461.05 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -24.47 | kJ mol-1 |
| Polar Solvation Energy | -36.84 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.37 | kJ mol-1 |
| Surface Area | 107.54 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.67 | Debye |