Molecule SMILES: O=C1C2OCC1N1CC21
Rotational constants A, B, C (GHz): 2.42448, 2.16816, 1.71098
Dipole moment mu (Debye): 1.4401
Isotropic polarizability alpha (Bohr^3): 67.03
HOMO energy (Hartree): -0.2279
LUMO energy (Hartree): -0.0345
HOMO-LUMO gap (Hartree): 0.1934
Electronic spatial extent r2 (Bohr^2): 851.8973
Zero-point vibrational energy (Hartree): 0.126682
Internal energy at 0 K (Hartree): -437.854241
Internal energy at 298.15 K (Hartree): -437.847802
Enthalpy at 298.15 K (Hartree): -437.846858
Free energy at 298.15 K (Hartree): -437.884869
Heat capacity at 298.15 K (cal/mol K): 26.155
Atomization energy at 0 K (kcal/mol): -1605.5941006111
Atomization energy at 298.15 K (kcal/mol): -1615.774179118
Atomization enthalpy at 298.15 K (kcal/mol): -1624.664099121
Atomization free energy at 298.15 K (kcal/mol): -1495.050860153