Molecule SMILES: CC(N1CC1)C1(C)CO1
Rotational constants A, B, C (GHz): 2.79423, 1.25222, 0.97871
Dipole moment mu (Debye): 1.6586
Isotropic polarizability alpha (Bohr^3): 82.13
HOMO energy (Hartree): -0.2362
LUMO energy (Hartree): 0.077
HOMO-LUMO gap (Hartree): 0.3132
Electronic spatial extent r2 (Bohr^2): 1280.0232
Zero-point vibrational energy (Hartree): 0.192168
Internal energy at 0 K (Hartree): -404.298046
Internal energy at 298.15 K (Hartree): -404.288383
Enthalpy at 298.15 K (Hartree): -404.287439
Free energy at 298.15 K (Hartree): -404.332636
Heat capacity at 298.15 K (cal/mol K): 36.617
Atomization energy at 0 K (kcal/mol): -2019.733725377
Atomization energy at 298.15 K (kcal/mol): -2033.2226588411
Atomization enthalpy at 298.15 K (kcal/mol): -2045.670554874
Atomization free energy at 298.15 K (kcal/mol): -1871.819813933