2-nitro-1h-imidazole
Molecule Viewer
Molecular Orbitals
- 1 -552.07 eV View
- 2 -551.27 eV View
- 3 -426.91 eV View
- 4 -421.16 eV View
- 5 -417.95 eV View
- 6 -303.67 eV View
- 7 -302.30 eV View
- 8 -301.19 eV View
- 9 -41.98 eV View
- 10 -35.76 eV View
- 11 -35.50 eV View
- 12 -30.96 eV View
- 13 -27.66 eV View
- 14 -24.52 eV View
- 15 -21.57 eV View
- 16 -20.68 eV View
- 17 -19.07 eV View
- 18 -18.27 eV View
- 19 -17.29 eV View
- 20 -16.51 eV View
- 21 -15.59 eV View
- 22 -15.43 eV View
- 23 -14.90 eV View
- 24 -10.39 eV View
- 25 -9.97 eV View
- 26 -9.84 eV View
- 27 -9.81 eV View
- 28 -7.99 eV View
- 29 -7.93 eV View
- 30 4.76 eV View
- 31 7.84 eV View
- 32 9.47 eV View
- 33 12.04 eV View
- 34 14.86 eV View
- 35 15.60 eV View
- 36 17.10 eV View
- 37 17.67 eV View
- 38 19.00 eV View
- 39 21.12 eV View
- 40 22.94 eV View
- 41 24.02 eV View
- 42 25.91 eV View
- 43 27.33 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 57.40 cm-1 View
- 2 192.00 cm-1 View
- 3 217.91 cm-1 View
- 4 446.32 cm-1 View
- 5 500.56 cm-1 View
- 6 533.12 cm-1 View
- 7 574.13 cm-1 View
- 8 605.07 cm-1 View
- 9 738.88 cm-1 View
- 10 780.50 cm-1 View
- 11 804.12 cm-1 View
- 12 870.08 cm-1 View
- 13 909.30 cm-1 View
- 14 951.66 cm-1 View
- 15 1075.94 cm-1 View
- 16 1091.90 cm-1 View
- 17 1211.48 cm-1 View
- 18 1294.89 cm-1 View
- 19 1481.03 cm-1 View
- 20 1514.91 cm-1 View
- 21 1549.43 cm-1 View
- 22 1584.17 cm-1 View
- 23 1624.48 cm-1 View
- 24 1912.18 cm-1 View
- 25 3102.25 cm-1 View
- 26 3115.17 cm-1 View
- 27 3443.85 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
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| Dipole |
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| Translucent Molecule |
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| Property | Value | Unit |
| Total Solvation Energy | -41.16 | kJ mol-1 |
| Polar Solvation Energy | -55.99 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.80 | kJ mol-1 |
| Surface Area | 107.88 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 7.73 | Debye |