Pyrazine
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 | 198.36 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 208.27 | 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 | 42.67 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 75.93 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.40 | J mol-1 K-1 |
| Rotational | 106.58 | J mol-1 K-1 |
| Vibrational | 18.40 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 288.38 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 164.36 | kJ mol-1 |
Molecular Orbitals
- 1 -418.09 eV View
- 2 -418.09 eV View
- 3 -301.86 eV View
- 4 -301.85 eV View
- 5 -301.85 eV View
- 6 -301.85 eV View
- 7 -33.88 eV View
- 8 -31.23 eV View
- 9 -27.18 eV View
- 10 -22.78 eV View
- 11 -22.35 eV View
- 12 -18.28 eV View
- 13 -17.18 eV View
- 14 -16.92 eV View
- 15 -15.48 eV View
- 16 -14.09 eV View
- 17 -13.28 eV View
- 18 -11.04 eV View
- 19 -9.68 eV View
- 20 -8.71 eV View
- 21 -8.66 eV View
- 22 5.87 eV View
- 23 6.17 eV View
- 24 12.39 eV View
- 25 16.27 eV View
- 26 16.91 eV View
- 27 17.17 eV View
- 28 17.80 eV View
- 29 18.25 eV View
- 30 22.08 eV View
- 31 22.93 eV View
- 32 23.43 eV View
- 33 27.42 eV View
- 34 28.44 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 336.32 cm-1 View
- 2 403.92 cm-1 View
- 3 631.74 cm-1 View
- 4 643.84 cm-1 View
- 5 672.75 cm-1 View
- 6 790.33 cm-1 View
- 7 867.55 cm-1 View
- 8 960.26 cm-1 View
- 9 965.12 cm-1 View
- 10 991.54 cm-1 View
- 11 1032.59 cm-1 View
- 12 1063.32 cm-1 View
- 13 1077.87 cm-1 View
- 14 1086.61 cm-1 View
- 15 1135.53 cm-1 View
- 16 1235.95 cm-1 View
- 17 1416.36 cm-1 View
- 18 1556.85 cm-1 View
- 19 1706.47 cm-1 View
- 20 1757.06 cm-1 View
- 21 3033.18 cm-1 View
- 22 3036.44 cm-1 View
- 23 3044.74 cm-1 View
- 24 3050.30 cm-1 View