6-chloropyrazin-2-amine
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 | 222.47 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 232.39 | 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 | 77.09 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 110.35 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.36 | J mol-1 K-1 |
| Rotational | 120.27 | J mol-1 K-1 |
| Vibrational | 52.21 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 341.83 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 130.51 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.52 eV View
- 2 -418.38 eV View
- 3 -418.15 eV View
- 4 -417.78 eV View
- 5 -303.69 eV View
- 6 -303.31 eV View
- 7 -301.54 eV View
- 8 -301.49 eV View
- 9 -281.66 eV View
- 10 -212.09 eV View
- 11 -211.92 eV View
- 12 -211.92 eV View
- 13 -34.36 eV View
- 14 -32.05 eV View
- 15 -31.22 eV View
- 16 -28.91 eV View
- 17 -25.94 eV View
- 18 -22.80 eV View
- 19 -21.76 eV View
- 20 -18.66 eV View
- 21 -18.02 eV View
- 22 -17.29 eV View
- 23 -16.40 eV View
- 24 -15.09 eV View
- 25 -15.00 eV View
- 26 -13.49 eV View
- 27 -12.56 eV View
- 28 -11.22 eV View
- 29 -11.21 eV View
- 30 -10.68 eV View
- 31 -9.03 eV View
- 32 -8.91 eV View
- 33 -7.09 eV View
- 34 5.73 eV View
- 35 6.41 eV View
- 36 11.34 eV View
- 37 12.27 eV View
- 38 15.32 eV View
- 39 16.85 eV View
- 40 17.08 eV View
- 41 17.37 eV View
- 42 18.54 eV View
- 43 19.76 eV View
- 44 22.69 eV View
- 45 22.88 eV View
- 46 23.77 eV View
- 47 27.09 eV View
- 48 28.48 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 12.04 cm-1 View
- 2 168.63 cm-1 View
- 3 194.47 cm-1 View
- 4 235.09 cm-1 View
- 5 390.18 cm-1 View
- 6 419.73 cm-1 View
- 7 429.73 cm-1 View
- 8 459.68 cm-1 View
- 9 549.59 cm-1 View
- 10 574.09 cm-1 View
- 11 682.48 cm-1 View
- 12 697.10 cm-1 View
- 13 872.20 cm-1 View
- 14 888.60 cm-1 View
- 15 948.09 cm-1 View
- 16 1021.82 cm-1 View
- 17 1050.91 cm-1 View
- 18 1093.03 cm-1 View
- 19 1121.80 cm-1 View
- 20 1173.36 cm-1 View
- 21 1360.62 cm-1 View
- 22 1512.65 cm-1 View
- 23 1539.31 cm-1 View
- 24 1623.57 cm-1 View
- 25 1677.82 cm-1 View
- 26 1736.16 cm-1 View
- 27 3040.39 cm-1 View
- 28 3047.23 cm-1 View
- 29 3493.05 cm-1 View
- 30 3546.53 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| 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 | 0 | |
| Dipole | 0.00 | Debye |