Molecule SMILES: CC1N(C)C1(C)C1CO1
Rotational constants A, B, C (GHz): 2.61278, 1.16602, 1.13956
Dipole moment mu (Debye): 2.3858
Isotropic polarizability alpha (Bohr^3): 82.75
HOMO energy (Hartree): -0.2174
LUMO energy (Hartree): 0.0786
HOMO-LUMO gap (Hartree): 0.296
Electronic spatial extent r2 (Bohr^2): 1259.9962
Zero-point vibrational energy (Hartree): 0.19154
Internal energy at 0 K (Hartree): -404.297144
Internal energy at 298.15 K (Hartree): -404.286857
Enthalpy at 298.15 K (Hartree): -404.285913
Free energy at 298.15 K (Hartree): -404.332215
Heat capacity at 298.15 K (cal/mol K): 37.581
Atomization energy at 0 K (kcal/mol): -2019.167712259
Atomization energy at 298.15 K (kcal/mol): -2032.2650801071
Atomization enthalpy at 298.15 K (kcal/mol): -2044.71297614
Atomization free energy at 298.15 K (kcal/mol): -1871.5556326441