Molecule Viewer
Molecular Orbitals
- 1 -302.40 eV View
- 2 -302.37 eV View
- 3 -302.08 eV View
- 4 -298.90 eV View
- 5 -298.68 eV View
- 6 -298.68 eV View
- 7 -298.53 eV View
- 8 -298.53 eV View
- 9 -32.23 eV View
- 10 -28.77 eV View
- 11 -24.71 eV View
- 12 -23.70 eV View
- 13 -21.29 eV View
- 14 -20.48 eV View
- 15 -19.11 eV View
- 16 -17.74 eV View
- 17 -17.10 eV View
- 18 -14.80 eV View
- 19 -13.70 eV View
- 20 -13.40 eV View
- 21 -12.80 eV View
- 22 -12.53 eV View
- 23 -11.53 eV View
- 24 -10.92 eV View
- 25 -10.43 eV View
- 26 -5.80 eV View
- 27 -5.72 eV View
- 28 6.20 eV View
- 29 6.80 eV View
- 30 11.87 eV View
- 31 12.94 eV View
- 32 13.00 eV View
- 33 15.41 eV View
- 34 15.42 eV View
- 35 17.28 eV View
- 36 18.71 eV View
- 37 19.06 eV View
- 38 19.81 eV View
- 39 20.41 eV View
- 40 22.32 eV View
- 41 22.99 eV View
- 42 26.96 eV View
- 43 27.09 eV View
- 44 29.91 eV View
- 45 31.61 eV View
- 46 33.28 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 130.97 cm-1 View
- 2 153.48 cm-1 View
- 3 195.25 cm-1 View
- 4 399.23 cm-1 View
- 5 498.80 cm-1 View
- 6 506.01 cm-1 View
- 7 535.94 cm-1 View
- 8 602.85 cm-1 View
- 9 792.89 cm-1 View
- 10 798.93 cm-1 View
- 11 821.10 cm-1 View
- 12 838.47 cm-1 View
- 13 915.61 cm-1 View
- 14 947.86 cm-1 View
- 15 955.73 cm-1 View
- 16 970.20 cm-1 View
- 17 972.56 cm-1 View
- 18 1033.90 cm-1 View
- 19 1081.26 cm-1 View
- 20 1081.86 cm-1 View
- 21 1092.93 cm-1 View
- 22 1197.33 cm-1 View
- 23 1242.91 cm-1 View
- 24 1369.19 cm-1 View
- 25 1410.81 cm-1 View
- 26 1442.00 cm-1 View
- 27 1672.95 cm-1 View
- 28 1754.51 cm-1 View
- 29 1765.53 cm-1 View
- 30 2167.74 cm-1 View
- 31 3139.80 cm-1 View
- 32 3142.21 cm-1 View
- 33 3153.13 cm-1 View
- 34 3163.21 cm-1 View
- 35 3255.24 cm-1 View
- 36 3289.96 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -6.40 | kJ mol-1 |
| Polar Solvation Energy | -17.14 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.74 | kJ mol-1 |
| Surface Area | 114.03 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.75 | Debye |