Molecule SMILES: CN(C)C(=O)C1CCO1
Rotational constants A, B, C (GHz): 3.25671, 1.11138, 0.92678
Dipole moment mu (Debye): 4.5533
Isotropic polarizability alpha (Bohr^3): 77.22
HOMO energy (Hartree): -0.2361
LUMO energy (Hartree): 0.0242
HOMO-LUMO gap (Hartree): 0.2602
Electronic spatial extent r2 (Bohr^2): 1324.0218
Zero-point vibrational energy (Hartree): 0.169693
Internal energy at 0 K (Hartree): -440.283106
Internal energy at 298.15 K (Hartree): -440.272998
Enthalpy at 298.15 K (Hartree): -440.272053
Free energy at 298.15 K (Hartree): -440.319958
Heat capacity at 298.15 K (cal/mol K): 34.438
Atomization energy at 0 K (kcal/mol): -1874.025508068
Atomization energy at 298.15 K (kcal/mol): -1885.45746703
Atomization enthalpy at 298.15 K (kcal/mol): -1896.718743544
Atomization free energy at 298.15 K (kcal/mol): -1740.645960082