But-2-ynedinitrile
Molecule Viewer
Molecular Orbitals
- 1 -416.33 eV View
- 2 -416.32 eV View
- 3 -301.21 eV View
- 4 -301.21 eV View
- 5 -300.47 eV View
- 6 -300.46 eV View
- 7 -30.67 eV View
- 8 -30.50 eV View
- 9 -27.44 eV View
- 10 -24.25 eV View
- 11 -21.38 eV View
- 12 -20.66 eV View
- 13 -17.09 eV View
- 14 -16.52 eV View
- 15 -16.41 eV View
- 16 -15.12 eV View
- 17 -14.70 eV View
- 18 -14.26 eV View
- 19 -13.03 eV View
- 20 -12.89 eV View
- 21 -12.05 eV View
- 22 -11.68 eV View
- 23 -11.26 eV View
- 24 -8.65 eV View
- 25 -8.60 eV View
- 26 15.45 eV View
- 27 15.65 eV View
- 28 17.06 eV View
- 29 17.07 eV View
- 30 17.67 eV View
- 31 18.29 eV View
- 32 19.08 eV View
- 33 19.15 eV View
- 34 19.29 eV View
- 35 20.15 eV View
- 36 20.52 eV View
- 37 20.52 eV View
- 38 21.20 eV View
- 39 21.46 eV View
- 40 21.64 eV View
- 41 22.11 eV View
- 42 22.29 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 67.80 cm-1 View
- 2 95.85 cm-1 View
- 3 118.99 cm-1 View
- 4 165.99 cm-1 View
- 5 213.52 cm-1 View
- 6 217.03 cm-1 View
- 7 349.06 cm-1 View
- 8 400.94 cm-1 View
- 9 525.34 cm-1 View
- 10 762.51 cm-1 View
- 11 810.49 cm-1 View
- 12 896.49 cm-1 View
- 13 976.73 cm-1 View
- 14 1007.07 cm-1 View
- 15 1019.01 cm-1 View
- 16 1028.03 cm-1 View
- 17 1081.78 cm-1 View
- 18 1111.46 cm-1 View
- 19 1131.90 cm-1 View
- 20 1139.08 cm-1 View
- 21 1147.38 cm-1 View
- 22 1157.57 cm-1 View
- 23 1167.95 cm-1 View
- 24 1170.75 cm-1 View
- 25 1178.12 cm-1 View
- 26 1196.62 cm-1 View
- 27 1240.65 cm-1 View
- 28 1294.99 cm-1 View
- 29 1368.26 cm-1 View
- 30 1376.81 cm-1 View
- 31 1379.53 cm-1 View
- 32 1401.36 cm-1 View
- 33 1416.57 cm-1 View
- 34 1422.92 cm-1 View
- 35 1670.73 cm-1 View
- 36 1671.03 cm-1 View
- 37 2905.02 cm-1 View
- 38 2905.82 cm-1 View
- 39 2943.89 cm-1 View
- 40 2955.97 cm-1 View
- 41 2988.65 cm-1 View
- 42 2988.70 cm-1 View
- 43 3028.20 cm-1 View
- 44 3030.59 cm-1 View
- 45 3387.56 cm-1 View
- 46 3387.76 cm-1 View
- 47 3522.82 cm-1 View
- 48 3522.94 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 4.68 | kJ mol-1 |
| Polar Solvation Energy | -17.19 | kJ mol-1 |
| Nonpolar Solvation Energy | 21.90 | kJ mol-1 |
| Surface Area | 106.95 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.58 | Debye |