Molecule SMILES: CC1NC(=O)N(C)C1C
Rotational constants A, B, C (GHz): 2.19308, 1.67315, 1.07497
Dipole moment mu (Debye): 3.9958
Isotropic polarizability alpha (Bohr^3): 79.4
HOMO energy (Hartree): -0.2306
LUMO energy (Hartree): 0.0595
HOMO-LUMO gap (Hartree): 0.2902
Electronic spatial extent r2 (Bohr^2): 1182.6265
Zero-point vibrational energy (Hartree): 0.183423
Internal energy at 0 K (Hartree): -420.470543
Internal energy at 298.15 K (Hartree): -420.461103
Enthalpy at 298.15 K (Hartree): -420.460159
Free energy at 298.15 K (Hartree): -420.504317
Heat capacity at 298.15 K (cal/mol K): 35.507
Atomization energy at 0 K (kcal/mol): -1979.372974006
Atomization energy at 298.15 K (kcal/mol): -1992.112661724
Atomization enthalpy at 298.15 K (kcal/mol): -2003.967561752
Atomization free energy at 298.15 K (kcal/mol): -1837.324389185