MolCalc

N1=NC12N=N2

Thermodynamics

Enthalpy
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational59.44kJ mol-1
Total (Trans. + Rot. + Vib.)69.35kJ mol-1
Heat Capacity at Constant Pressure
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational25.35J mol-1 K-1
Total (Trans. + Rot. + Vib.)58.60J mol-1 K-1
Entropy
Translational161.37J mol-1 K-1
Rotational100.17J mol-1 K-1
Vibrational14.86J mol-1 K-1
Total (Trans. + Rot. + Vib.)276.40J mol-1 K-1
Other properties
Heat of Formation847.29kJ mol-1


  5  6  0  0  0  0  0  0  0  0999 V2000
   -0.4418    1.4524   -0.5268 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6611   -1.0834   -0.4472 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0484    0.1285   -0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4692   -1.2553    0.0404 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0564    1.4002    0.6108 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0
  2  3  1  0
  2  4  2  0
  1  5  2  0
  4  3  1  0
  3  5  1  0
M  END

Vibrational Frequencies

Molecular Orbitals

Polarity and Solvations