Molecule SMILES: CN(C)Cc1cnno1
Rotational constants A, B, C (GHz): 4.3691, 0.91882, 0.89055
Dipole moment mu (Debye): 4.402
Isotropic polarizability alpha (Bohr^3): 75.39
HOMO energy (Hartree): -0.2307
LUMO energy (Hartree): -0.0386
HOMO-LUMO gap (Hartree): 0.1921
Electronic spatial extent r2 (Bohr^2): 1363.5879
Zero-point vibrational energy (Hartree): 0.146597
Internal energy at 0 K (Hartree): -435.227527
Internal energy at 298.15 K (Hartree): -435.218645
Enthalpy at 298.15 K (Hartree): -435.217701
Free energy at 298.15 K (Hartree): -435.262201
Heat capacity at 298.15 K (cal/mol K): 31.684
Atomization energy at 0 K (kcal/mol): -1678.616695432
Atomization energy at 298.15 K (kcal/mol): -1689.040247431
Atomization enthalpy at 298.15 K (kcal/mol): -1699.116159444
Atomization free energy at 298.15 K (kcal/mol): -1556.8812044501