Molecule SMILES: CCN(C)C(=O)N1CC1
Rotational constants A, B, C (GHz): 3.267, 1.0907, 0.89876
Dipole moment mu (Debye): 2.8235
Isotropic polarizability alpha (Bohr^3): 81.43
HOMO energy (Hartree): -0.2324
LUMO energy (Hartree): 0.042
HOMO-LUMO gap (Hartree): 0.2743
Electronic spatial extent r2 (Bohr^2): 1370.7144
Zero-point vibrational energy (Hartree): 0.181718
Internal energy at 0 K (Hartree): -420.41461
Internal energy at 298.15 K (Hartree): -420.404406
Enthalpy at 298.15 K (Hartree): -420.403462
Free energy at 298.15 K (Hartree): -420.450651
Heat capacity at 298.15 K (cal/mol K): 35.978
Atomization energy at 0 K (kcal/mol): -1944.274513109
Atomization energy at 298.15 K (kcal/mol): -1956.534783951
Atomization enthalpy at 298.15 K (kcal/mol): -1968.389683979
Atomization free energy at 298.15 K (kcal/mol): -1803.648491191