Molecule SMILES: CC1N(C)CCC1=O
Rotational constants A, B, C (GHz): 2.77494, 1.92937, 1.49803
Dipole moment mu (Debye): 2.3372
Isotropic polarizability alpha (Bohr^3): 70.96
HOMO energy (Hartree): -0.2093
LUMO energy (Hartree): -0.0181
HOMO-LUMO gap (Hartree): 0.1913
Electronic spatial extent r2 (Bohr^2): 938.7344
Zero-point vibrational energy (Hartree): 0.16506
Internal energy at 0 K (Hartree): -365.081181
Internal energy at 298.15 K (Hartree): -365.072765
Enthalpy at 298.15 K (Hartree): -365.07182
Free energy at 298.15 K (Hartree): -365.114464
Heat capacity at 298.15 K (cal/mol K): 31.052
Atomization energy at 0 K (kcal/mol): -1787.839656954
Atomization energy at 298.15 K (kcal/mol): -1799.4448084
Atomization enthalpy at 298.15 K (kcal/mol): -1810.113716418
Atomization free energy at 298.15 K (kcal/mol): -1661.603671424