[N-]=[N+]=C=[N+]=[N-]
Thermodynamics
| Enthalpy |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 2.48 | kJ mol-1 |
| Vibrational | 68.75 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 77.42 | kJ mol-1 |
| Heat Capacity at Constant Pressure |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 8.31 | J mol-1 K-1 |
| Vibrational | 37.20 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 66.30 | J mol-1 K-1 |
| Entropy |
| Translational | 161.37 | J mol-1 K-1 |
| Rotational | 67.66 | J mol-1 K-1 |
| Vibrational | 31.14 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 260.17 | J mol-1 K-1 |
| Other properties |
| Heat of Formation | 499.79 | kJ mol-1 |
5 4 0 0 0 0 0 0 0 0999 V2000
1.2586 -0.2868 -0.0841 N 0 0 0 0 0 4 0 0 0 0 0 0
-0.0000 -0.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2586 -0.1520 0.0841 N 0 0 0 0 0 4 0 0 0 0 0 0
2.3812 -0.3469 -0.1591 N 0 0 0 0 0 2 0 0 0 0 0 0
-2.3812 -0.0919 0.1591 N 0 0 0 0 0 2 0 0 0 0 0 0
1 2 2 0
1 4 2 0
2 3 2 0
3 5 2 0
M CHG 4 1 1 3 1 4 -1 5 -1
M END