Molecule SMILES: CC1N(C)CC1=O
Rotational constants A, B, C (GHz): 3.90717, 2.43065, 1.6309
Dipole moment mu (Debye): 2.5704
Isotropic polarizability alpha (Bohr^3): 62.21
HOMO energy (Hartree): -0.2291
LUMO energy (Hartree): -0.0213
HOMO-LUMO gap (Hartree): 0.2078
Electronic spatial extent r2 (Bohr^2): 778.9351
Zero-point vibrational energy (Hartree): 0.134884
Internal energy at 0 K (Hartree): -325.771459
Internal energy at 298.15 K (Hartree): -325.763875
Enthalpy at 298.15 K (Hartree): -325.762931
Free energy at 298.15 K (Hartree): -325.802997
Heat capacity at 298.15 K (cal/mol K): 27.143
Atomization energy at 0 K (kcal/mol): -1497.676985318
Atomization energy at 298.15 K (kcal/mol): -1507.137938511
Atomization enthalpy at 298.15 K (kcal/mol): -1516.029113532
Atomization free energy at 298.15 K (kcal/mol): -1392.84407676