NN[N+]([N-][NH3+])([N-][NH3+])[N-][NH3+]
Thermodynamics
| Enthalpy |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 519.75 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 529.66 | kJ mol-1 |
| Heat Capacity at Constant Pressure |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 144.29 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 177.55 | J mol-1 K-1 |
| Entropy |
| Translational | 170.21 | J mol-1 K-1 |
| Rotational | 122.61 | J mol-1 K-1 |
| Vibrational | 143.37 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 436.19 | J mol-1 K-1 |
| Other properties |
| Heat of Formation | 1347.91 | kJ mol-1 |
21 20 0 0 0 0 0 0 0 0999 V2000
0.0696 0.1008 0.1112 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4257 -0.3424 0.2090 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7624 -0.8418 -0.5790 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4310 0.3709 1.4206 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1048 1.4693 -0.7841 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4551 0.5924 2.4937 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8352 -1.4675 0.0777 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2806 2.2432 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9987 1.7967 -1.5761 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0835 -0.7901 -0.9476 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5504 -1.9876 0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2003 -2.0982 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5517 -0.8241 0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1451 0.8706 3.2431 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1113 1.3232 2.3094 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9490 -0.2348 2.7596 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9971 -1.0360 -0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1606 -0.0771 -1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6503 -1.5941 -1.3545 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8639 1.7747 -1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0257 1.1916 -2.3677 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
1 4 1 0
1 5 1 0
6 4 1 0
7 3 1 0
8 5 1 0
9 5 1 0
10 2 1 0
11 7 1 0
12 7 1 0
13 7 1 0
14 6 1 0
15 6 1 0
16 6 1 0
17 10 1 0
18 10 1 0
19 10 1 0
20 9 1 0
21 9 1 0
M CHG 7 1 1 2 -1 3 -1 4 -1 6 1 7 1 10 1
M END