Molecule Viewer
Molecular Orbitals
- 1 -428.34 eV View
- 2 -307.71 eV View
- 3 -307.71 eV View
- 4 -307.71 eV View
- 5 -305.60 eV View
- 6 -305.49 eV View
- 7 -305.49 eV View
- 8 -305.49 eV View
- 9 -40.55 eV View
- 10 -33.93 eV View
- 11 -32.28 eV View
- 12 -32.28 eV View
- 13 -28.28 eV View
- 14 -27.51 eV View
- 15 -27.50 eV View
- 16 -25.22 eV View
- 17 -23.13 eV View
- 18 -22.89 eV View
- 19 -22.89 eV View
- 20 -20.31 eV View
- 21 -20.10 eV View
- 22 -19.91 eV View
- 23 -19.91 eV View
- 24 -18.86 eV View
- 25 -18.86 eV View
- 26 -18.74 eV View
- 27 -18.74 eV View
- 28 -16.73 eV View
- 29 -16.11 eV View
- 30 -15.82 eV View
- 31 -15.82 eV View
- 32 7.22 eV View
- 33 7.83 eV View
- 34 7.83 eV View
- 35 9.51 eV View
- 36 10.80 eV View
- 37 10.80 eV View
- 38 11.13 eV View
- 39 12.03 eV View
- 40 12.53 eV View
- 41 12.53 eV View
- 42 12.88 eV View
- 43 12.88 eV View
- 44 13.10 eV View
- 45 14.23 eV View
- 46 14.24 eV View
- 47 15.05 eV View
- 48 15.92 eV View
- 49 16.45 eV View
- 50 16.45 eV View
- 51 16.75 eV View
- 52 17.50 eV View
- 53 17.53 eV View
- 54 17.53 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 97.46 cm-1 View
- 2 285.99 cm-1 View
- 3 286.04 cm-1 View
- 4 400.65 cm-1 View
- 5 400.76 cm-1 View
- 6 544.36 cm-1 View
- 7 544.37 cm-1 View
- 8 629.58 cm-1 View
- 9 788.36 cm-1 View
- 10 816.26 cm-1 View
- 11 816.37 cm-1 View
- 12 857.39 cm-1 View
- 13 915.31 cm-1 View
- 14 933.14 cm-1 View
- 15 933.28 cm-1 View
- 16 933.33 cm-1 View
- 17 935.47 cm-1 View
- 18 958.59 cm-1 View
- 19 958.69 cm-1 View
- 20 1048.09 cm-1 View
- 21 1048.21 cm-1 View
- 22 1051.74 cm-1 View
- 23 1089.58 cm-1 View
- 24 1090.75 cm-1 View
- 25 1090.88 cm-1 View
- 26 1092.62 cm-1 View
- 27 1112.70 cm-1 View
- 28 1112.77 cm-1 View
- 29 1160.05 cm-1 View
- 30 1160.10 cm-1 View
- 31 1242.17 cm-1 View
- 32 1242.26 cm-1 View
- 33 1258.35 cm-1 View
- 34 1258.45 cm-1 View
- 35 1274.69 cm-1 View
- 36 1311.13 cm-1 View
- 37 1311.22 cm-1 View
- 38 1323.64 cm-1 View
- 39 1330.34 cm-1 View
- 40 1330.40 cm-1 View
- 41 1378.93 cm-1 View
- 42 1378.97 cm-1 View
- 43 1381.28 cm-1 View
- 44 1395.70 cm-1 View
- 45 1395.74 cm-1 View
- 46 1405.61 cm-1 View
- 47 2918.08 cm-1 View
- 48 2919.01 cm-1 View
- 49 2921.56 cm-1 View
- 50 2921.93 cm-1 View
- 51 2965.22 cm-1 View
- 52 2967.12 cm-1 View
- 53 2967.43 cm-1 View
- 54 2990.04 cm-1 View
- 55 2990.11 cm-1 View
- 56 2990.66 cm-1 View
- 57 3046.14 cm-1 View
- 58 3046.33 cm-1 View
- 59 3046.84 cm-1 View
- 60 3294.55 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -175.05 | kJ mol-1 |
| Polar Solvation Energy | -196.94 | kJ mol-1 |
| Nonpolar Solvation Energy | 21.86 | kJ mol-1 |
| Surface Area | 96.05 | Å2 |
| Charge of Molecule | 1 | |
| Dipole | 4.60 | Debye |