Pyridine-3-carboxamide
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 | 312.74 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 322.66 | 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 | 91.97 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 125.23 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.66 | J mol-1 K-1 |
| Rotational | 119.99 | J mol-1 K-1 |
| Vibrational | 72.49 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 361.15 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -29.69 | kJ mol-1 |
Molecular Orbitals
- 1 -550.27 eV View
- 2 -417.60 eV View
- 3 -417.19 eV View
- 4 -303.57 eV View
- 5 -301.77 eV View
- 6 -301.69 eV View
- 7 -301.20 eV View
- 8 -301.13 eV View
- 9 -300.88 eV View
- 10 -35.72 eV View
- 11 -32.80 eV View
- 12 -30.52 eV View
- 13 -28.35 eV View
- 14 -27.06 eV View
- 15 -22.76 eV View
- 16 -22.05 eV View
- 17 -19.90 eV View
- 18 -18.72 eV View
- 19 -17.53 eV View
- 20 -17.06 eV View
- 21 -16.17 eV View
- 22 -15.28 eV View
- 23 -14.36 eV View
- 24 -14.32 eV View
- 25 -13.41 eV View
- 26 -13.03 eV View
- 27 -12.91 eV View
- 28 -9.47 eV View
- 29 -8.95 eV View
- 30 -8.74 eV View
- 31 -8.61 eV View
- 32 -7.87 eV View
- 33 5.46 eV View
- 34 6.40 eV View
- 35 9.73 eV View
- 36 13.41 eV View
- 37 14.65 eV View
- 38 15.82 eV View
- 39 16.75 eV View
- 40 17.23 eV View
- 41 18.42 eV View
- 42 19.07 eV View
- 43 19.69 eV View
- 44 20.63 eV View
- 45 21.49 eV View
- 46 22.72 eV View
- 47 23.80 eV View
- 48 24.73 eV View
- 49 27.35 eV View
- 50 29.27 eV View
- 51 29.98 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 37.15 cm-1 View
- 2 149.28 cm-1 View
- 3 234.53 cm-1 View
- 4 363.85 cm-1 View
- 5 388.75 cm-1 View
- 6 407.42 cm-1 View
- 7 472.94 cm-1 View
- 8 510.07 cm-1 View
- 9 573.92 cm-1 View
- 10 610.58 cm-1 View
- 11 638.51 cm-1 View
- 12 677.50 cm-1 View
- 13 815.03 cm-1 View
- 14 819.66 cm-1 View
- 15 918.19 cm-1 View
- 16 938.80 cm-1 View
- 17 962.52 cm-1 View
- 18 1013.57 cm-1 View
- 19 1040.27 cm-1 View
- 20 1063.97 cm-1 View
- 21 1074.87 cm-1 View
- 22 1109.40 cm-1 View
- 23 1142.20 cm-1 View
- 24 1184.13 cm-1 View
- 25 1206.42 cm-1 View
- 26 1274.28 cm-1 View
- 27 1410.01 cm-1 View
- 28 1510.12 cm-1 View
- 29 1571.95 cm-1 View
- 30 1626.68 cm-1 View
- 31 1753.90 cm-1 View
- 32 1772.40 cm-1 View
- 33 1897.29 cm-1 View
- 34 2989.92 cm-1 View
- 35 3032.69 cm-1 View
- 36 3043.83 cm-1 View
- 37 3073.13 cm-1 View
- 38 3451.57 cm-1 View
- 39 3522.68 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -19.42 | kJ mol-1 |
| Polar Solvation Energy | -32.11 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.71 | kJ mol-1 |
| Surface Area | 115.17 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.30 | Debye |