Molecule SMILES: CC1(C)NC1C1(C)CO1
Rotational constants A, B, C (GHz): 2.82156, 1.1465, 1.1055
Dipole moment mu (Debye): 2.7166
Isotropic polarizability alpha (Bohr^3): 82.87
HOMO energy (Hartree): -0.24
LUMO energy (Hartree): 0.0718
HOMO-LUMO gap (Hartree): 0.3118
Electronic spatial extent r2 (Bohr^2): 1274.2087
Zero-point vibrational energy (Hartree): 0.191851
Internal energy at 0 K (Hartree): -404.315118
Internal energy at 298.15 K (Hartree): -404.305172
Enthalpy at 298.15 K (Hartree): -404.304228
Free energy at 298.15 K (Hartree): -404.349507
Heat capacity at 298.15 K (cal/mol K): 37.714
Atomization energy at 0 K (kcal/mol): -2030.446559025
Atomization energy at 298.15 K (kcal/mol): -2043.7579074421
Atomization enthalpy at 298.15 K (kcal/mol): -2056.205803475
Atomization free energy at 298.15 K (kcal/mol): -1882.4065182721