2,3-dihydro-1h-indole
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 406.83 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 416.75 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 92.01 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 125.27 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.36 | J mol-1 K-1 |
| Rotational | 118.73 | J mol-1 K-1 |
| Vibrational | 57.05 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 344.14 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 87.72 | kJ mol-1 |
Molecular Orbitals
- 1 -417.07 eV View
- 2 -301.48 eV View
- 3 -300.93 eV View
- 4 -300.79 eV View
- 5 -300.04 eV View
- 6 -300.01 eV View
- 7 -299.91 eV View
- 8 -299.84 eV View
- 9 -299.75 eV View
- 10 -32.09 eV View
- 11 -29.13 eV View
- 12 -27.17 eV View
- 13 -25.39 eV View
- 14 -25.07 eV View
- 15 -21.53 eV View
- 16 -20.74 eV View
- 17 -19.94 eV View
- 18 -17.66 eV View
- 19 -16.55 eV View
- 20 -15.97 eV View
- 21 -15.75 eV View
- 22 -14.51 eV View
- 23 -14.23 eV View
- 24 -13.58 eV View
- 25 -13.03 eV View
- 26 -12.58 eV View
- 27 -12.26 eV View
- 28 -11.80 eV View
- 29 -11.40 eV View
- 30 -9.69 eV View
- 31 -7.48 eV View
- 32 -6.17 eV View
- 33 7.33 eV View
- 34 7.65 eV View
- 35 13.59 eV View
- 36 14.94 eV View
- 37 15.29 eV View
- 38 16.21 eV View
- 39 16.87 eV View
- 40 17.84 eV View
- 41 18.24 eV View
- 42 18.58 eV View
- 43 19.62 eV View
- 44 19.98 eV View
- 45 20.40 eV View
- 46 20.54 eV View
- 47 21.12 eV View
- 48 22.10 eV View
- 49 23.73 eV View
- 50 24.37 eV View
- 51 25.28 eV View
- 52 25.56 eV View
- 53 30.11 eV View
- 54 31.52 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 121.95 cm-1 View
- 2 175.35 cm-1 View
- 3 245.46 cm-1 View
- 4 398.78 cm-1 View
- 5 403.23 cm-1 View
- 6 478.05 cm-1 View
- 7 547.37 cm-1 View
- 8 583.02 cm-1 View
- 9 672.24 cm-1 View
- 10 696.60 cm-1 View
- 11 756.16 cm-1 View
- 12 788.32 cm-1 View
- 13 840.77 cm-1 View
- 14 862.17 cm-1 View
- 15 906.37 cm-1 View
- 16 921.42 cm-1 View
- 17 944.90 cm-1 View
- 18 990.65 cm-1 View
- 19 1004.45 cm-1 View
- 20 1013.58 cm-1 View
- 21 1058.17 cm-1 View
- 22 1073.07 cm-1 View
- 23 1089.29 cm-1 View
- 24 1091.04 cm-1 View
- 25 1109.95 cm-1 View
- 26 1151.33 cm-1 View
- 27 1186.43 cm-1 View
- 28 1212.32 cm-1 View
- 29 1261.84 cm-1 View
- 30 1289.33 cm-1 View
- 31 1308.87 cm-1 View
- 32 1328.00 cm-1 View
- 33 1383.34 cm-1 View
- 34 1407.49 cm-1 View
- 35 1435.52 cm-1 View
- 36 1584.03 cm-1 View
- 37 1599.73 cm-1 View
- 38 1799.75 cm-1 View
- 39 1812.77 cm-1 View
- 40 2952.39 cm-1 View
- 41 2981.37 cm-1 View
- 42 3024.71 cm-1 View
- 43 3055.76 cm-1 View
- 44 3057.58 cm-1 View
- 45 3065.44 cm-1 View
- 46 3076.22 cm-1 View
- 47 3082.18 cm-1 View
- 48 3402.18 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 5.04 | kJ mol-1 |
| Polar Solvation Energy | -11.78 | kJ mol-1 |
| Nonpolar Solvation Energy | 16.80 | kJ mol-1 |
| Surface Area | 109.69 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.54 | Debye |