Molecule SMILES: CN(C)c1cn[nH]n1
Rotational constants A, B, C (GHz): 4.71698, 1.62829, 1.23681
Dipole moment mu (Debye): 1.4022
Isotropic polarizability alpha (Bohr^3): 67.52
HOMO energy (Hartree): -0.1988
LUMO energy (Hartree): 0.0079
HOMO-LUMO gap (Hartree): 0.2067
Electronic spatial extent r2 (Bohr^2): 954.819
Zero-point vibrational energy (Hartree): 0.132413
Internal energy at 0 K (Hartree): -376.094967
Internal energy at 298.15 K (Hartree): -376.087127
Enthalpy at 298.15 K (Hartree): -376.086182
Free energy at 298.15 K (Hartree): -376.12738
Heat capacity at 298.15 K (cal/mol K): 27.846
Atomization energy at 0 K (kcal/mol): -1487.353834759
Atomization energy at 298.15 K (kcal/mol): -1496.653518139
Atomization enthalpy at 298.15 K (kcal/mol): -1505.543438142
Atomization free energy at 298.15 K (kcal/mol): -1379.960061972