3-(2-carboxyethyl)-4,6-dichloro-6h-indole-2-carboxylic acid
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 | 27.26 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 37.18 | 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 | 61.02 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 94.28 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 178.42 | J mol-1 K-1 |
| Rotational | 123.25 | J mol-1 K-1 |
| Vibrational | 82.48 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 384.14 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 905.18 | kJ mol-1 |
Molecular Orbitals
- 1 -31715.25 eV View
- 2 -4869.41 eV View
- 3 -4605.52 eV View
- 4 -4605.52 eV View
- 5 -4605.50 eV View
- 6 -2827.36 eV View
- 7 -2827.36 eV View
- 8 -2827.36 eV View
- 9 -2827.36 eV View
- 10 -994.04 eV View
- 11 -904.16 eV View
- 12 -904.16 eV View
- 13 -904.03 eV View
- 14 -656.81 eV View
- 15 -656.80 eV View
- 16 -656.68 eV View
- 17 -656.68 eV View
- 18 -656.64 eV View
- 19 -288.77 eV View
- 20 -288.75 eV View
- 21 -288.75 eV View
- 22 -288.75 eV View
- 23 -219.21 eV View
- 24 -219.20 eV View
- 25 -219.20 eV View
- 26 -219.20 eV View
- 27 -218.94 eV View
- 28 -218.94 eV View
- 29 -218.94 eV View
- 30 -218.94 eV View
- 31 -218.93 eV View
- 32 -218.93 eV View
- 33 -218.92 eV View
- 34 -218.92 eV View
- 35 -196.50 eV View
- 36 -157.56 eV View
- 37 -157.56 eV View
- 38 -157.00 eV View
- 39 -71.09 eV View
- 40 -70.92 eV View
- 41 -70.58 eV View
- 42 -70.58 eV View
- 43 -70.27 eV View
- 44 -39.66 eV View
- 45 -36.41 eV View
- 46 -36.41 eV View
- 47 -36.18 eV View
- 48 -26.53 eV View
- 49 -23.41 eV View
- 50 -23.20 eV View
- 51 -23.20 eV View
- 52 -18.61 eV View
- 53 -18.54 eV View
- 54 -18.24 eV View
- 55 -18.24 eV View
- 56 -17.95 eV View
- 57 -17.83 eV View
- 58 -17.83 eV View
- 59 -17.55 eV View
- 60 -8.68 eV View
- 61 -3.53 eV View
- 62 -2.10 eV View
- 63 -2.10 eV View
- 64 342.30 eV View
- 65 10633.68 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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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 | 0.00 | kJ mol-1 |
| Polar Solvation Energy | 0.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 0.00 | kJ mol-1 |
| Surface Area | Å2 | |
| Charge of Molecule | 1 | |
| Dipole | 0.00 | Debye |