Molecule SMILES: CN(C)c1nnon1
Rotational constants A, B, C (GHz): 4.79243, 1.66889, 1.26292
Dipole moment mu (Debye): 4.0017
Isotropic polarizability alpha (Bohr^3): 60.8
HOMO energy (Hartree): -0.2371
LUMO energy (Hartree): -0.0563
HOMO-LUMO gap (Hartree): 0.1809
Electronic spatial extent r2 (Bohr^2): 914.1446
Zero-point vibrational energy (Hartree): 0.106569
Internal energy at 0 K (Hartree): -411.977781
Internal energy at 298.15 K (Hartree): -411.97011
Enthalpy at 298.15 K (Hartree): -411.969166
Free energy at 298.15 K (Hartree): -412.010183
Heat capacity at 298.15 K (cal/mol K): 26.273
Atomization energy at 0 K (kcal/mol): -1277.485332236
Atomization energy at 298.15 K (kcal/mol): -1285.11333164
Atomization enthalpy at 298.15 K (kcal/mol): -1292.817887142
Atomization free energy at 298.15 K (kcal/mol): -1183.19959495