Molecule SMILES: CC(N1CC1)C1OC1
Rotational constants A, B, C (GHz): 3.57939, 1.49249, 1.13994
Dipole moment mu (Debye): 1.8728
Isotropic polarizability alpha (Bohr^3): 71.68
HOMO energy (Hartree): -0.2392
LUMO energy (Hartree): 0.0814
HOMO-LUMO gap (Hartree): 0.3206
Electronic spatial extent r2 (Bohr^2): 1068.7153
Zero-point vibrational energy (Hartree): 0.164366
Internal energy at 0 K (Hartree): -365.006005
Internal energy at 298.15 K (Hartree): -364.997643
Enthalpy at 298.15 K (Hartree): -364.996698
Free energy at 298.15 K (Hartree): -365.039054
Heat capacity at 298.15 K (cal/mol K): 30.768
Atomization energy at 0 K (kcal/mol): -1740.66604037
Atomization energy at 298.15 K (kcal/mol): -1752.305077302
Atomization enthalpy at 298.15 K (kcal/mol): -1762.97398532
Atomization free energy at 298.15 K (kcal/mol): -1614.283217734