Molecule SMILES: OC1CC1N1CC1
Rotational constants A, B, C (GHz): 5.38809, 1.92811, 1.64922
Dipole moment mu (Debye): 2.7619
Isotropic polarizability alpha (Bohr^3): 61.84
HOMO energy (Hartree): -0.2279
LUMO energy (Hartree): 0.0807
HOMO-LUMO gap (Hartree): 0.3086
Electronic spatial extent r2 (Bohr^2): 784.3891
Zero-point vibrational energy (Hartree): 0.136567
Internal energy at 0 K (Hartree): -325.718022
Internal energy at 298.15 K (Hartree): -325.711149
Enthalpy at 298.15 K (Hartree): -325.710205
Free energy at 298.15 K (Hartree): -325.74893
Heat capacity at 298.15 K (cal/mol K): 25.972
Atomization energy at 0 K (kcal/mol): -1464.1447868851
Atomization energy at 298.15 K (kcal/mol): -1474.051898977
Atomization enthalpy at 298.15 K (kcal/mol): -1482.943073998
Atomization free energy at 298.15 K (kcal/mol): -1358.916547657