Molecule SMILES: O=CC1CNCC(=O)C1
Rotational constants A, B, C (GHz): 3.11928, 1.12811, 0.88272
Dipole moment mu (Debye): 0.7035
Isotropic polarizability alpha (Bohr^3): 73.15
HOMO energy (Hartree): -0.2205
LUMO energy (Hartree): -0.034
HOMO-LUMO gap (Hartree): 0.1865
Electronic spatial extent r2 (Bohr^2): 1272.598
Zero-point vibrational energy (Hartree): 0.14805
Internal energy at 0 K (Hartree): -439.11083
Internal energy at 298.15 K (Hartree): -439.10233
Enthalpy at 298.15 K (Hartree): -439.101386
Free energy at 298.15 K (Hartree): -439.144694
Heat capacity at 298.15 K (cal/mol K): 31.144
Atomization energy at 0 K (kcal/mol): -1766.2633874981
Atomization energy at 298.15 K (kcal/mol): -1776.9272754441
Atomization enthalpy at 298.15 K (kcal/mol): -1787.003187457
Atomization free energy at 298.15 K (kcal/mol): -1644.379804392