Molecule Viewer
Molecular Orbitals
- 1 -313.09 eV View
- 2 -308.27 eV View
- 3 -306.18 eV View
- 4 -304.76 eV View
- 5 -304.76 eV View
- 6 -36.36 eV View
- 7 -32.63 eV View
- 8 -29.40 eV View
- 9 -28.85 eV View
- 10 -25.60 eV View
- 11 -24.91 eV View
- 12 -22.41 eV View
- 13 -21.76 eV View
- 14 -20.67 eV View
- 15 -19.84 eV View
- 16 -18.54 eV View
- 17 -17.90 eV View
- 18 -16.92 eV View
- 19 -16.60 eV View
- 20 -16.57 eV View
- 21 -4.53 eV View
- 22 8.11 eV View
- 23 8.82 eV View
- 24 9.93 eV View
- 25 10.69 eV View
- 26 12.16 eV View
- 27 13.50 eV View
- 28 13.72 eV View
- 29 13.88 eV View
- 30 14.72 eV View
- 31 15.00 eV View
- 32 16.20 eV View
- 33 16.51 eV View
- 34 16.75 eV View
- 35 16.98 eV View
- 36 17.17 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 113.16 cm-1 View
- 2 188.96 cm-1 View
- 3 200.53 cm-1 View
- 4 219.03 cm-1 View
- 5 291.94 cm-1 View
- 6 330.40 cm-1 View
- 7 399.35 cm-1 View
- 8 568.04 cm-1 View
- 9 623.91 cm-1 View
- 10 850.16 cm-1 View
- 11 916.27 cm-1 View
- 12 949.89 cm-1 View
- 13 953.90 cm-1 View
- 14 964.00 cm-1 View
- 15 1001.72 cm-1 View
- 16 1042.92 cm-1 View
- 17 1073.41 cm-1 View
- 18 1120.97 cm-1 View
- 19 1147.12 cm-1 View
- 20 1183.52 cm-1 View
- 21 1223.91 cm-1 View
- 22 1274.30 cm-1 View
- 23 1304.73 cm-1 View
- 24 1305.09 cm-1 View
- 25 1382.57 cm-1 View
- 26 1385.07 cm-1 View
- 27 1401.95 cm-1 View
- 28 1403.78 cm-1 View
- 29 1411.37 cm-1 View
- 30 1411.55 cm-1 View
- 31 1527.22 cm-1 View
- 32 2718.86 cm-1 View
- 33 2864.75 cm-1 View
- 34 2880.79 cm-1 View
- 35 3023.25 cm-1 View
- 36 3065.17 cm-1 View
- 37 3070.91 cm-1 View
- 38 3071.30 cm-1 View
- 39 3079.81 cm-1 View
- 40 3081.48 cm-1 View
- 41 3174.08 cm-1 View
- 42 3174.69 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -221.67 | kJ mol-1 |
| Polar Solvation Energy | -239.08 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.39 | kJ mol-1 |
| Surface Area | 90.64 | Å2 |
| Charge of Molecule | 1 | |
| Dipole | 7.32 | Debye |