But-1-ene
Molecule Viewer
Molecular Orbitals
- 1 -300.65 eV View
- 2 -300.33 eV View
- 3 -299.94 eV View
- 4 -299.47 eV View
- 5 -28.17 eV View
- 6 -25.62 eV View
- 7 -22.06 eV View
- 8 -19.41 eV View
- 9 -16.32 eV View
- 10 -15.45 eV View
- 11 -15.01 eV View
- 12 -13.35 eV View
- 13 -13.11 eV View
- 14 -12.13 eV View
- 15 -11.61 eV View
- 16 -8.32 eV View
- 17 8.82 eV View
- 18 15.99 eV View
- 19 17.15 eV View
- 20 18.15 eV View
- 21 19.06 eV View
- 22 19.27 eV View
- 23 19.99 eV View
- 24 20.51 eV View
- 25 21.03 eV View
- 26 21.12 eV View
- 27 25.75 eV View
- 28 28.29 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 77.26 cm-1 View
- 2 183.34 cm-1 View
- 3 349.67 cm-1 View
- 4 458.84 cm-1 View
- 5 622.16 cm-1 View
- 6 828.63 cm-1 View
- 7 909.88 cm-1 View
- 8 929.75 cm-1 View
- 9 979.64 cm-1 View
- 10 1006.73 cm-1 View
- 11 1052.90 cm-1 View
- 12 1116.69 cm-1 View
- 13 1130.47 cm-1 View
- 14 1184.29 cm-1 View
- 15 1213.15 cm-1 View
- 16 1305.45 cm-1 View
- 17 1358.37 cm-1 View
- 18 1405.87 cm-1 View
- 19 1407.38 cm-1 View
- 20 1411.77 cm-1 View
- 21 1422.26 cm-1 View
- 22 1862.17 cm-1 View
- 23 2946.40 cm-1 View
- 24 3025.63 cm-1 View
- 25 3040.76 cm-1 View
- 26 3081.52 cm-1 View
- 27 3086.30 cm-1 View
- 28 3135.73 cm-1 View
- 29 3148.14 cm-1 View
- 30 3183.41 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 13.10 | kJ mol-1 |
| Polar Solvation Energy | -1.67 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.76 | kJ mol-1 |
| Surface Area | 83.82 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.25 | Debye |