Molecule SMILES: CC1N(C)C1(C)CO
Rotational constants A, B, C (GHz): 2.97475, 1.49785, 1.36349
Dipole moment mu (Debye): 2.2157
Isotropic polarizability alpha (Bohr^3): 74.99
HOMO energy (Hartree): -0.2207
LUMO energy (Hartree): 0.0766
HOMO-LUMO gap (Hartree): 0.2973
Electronic spatial extent r2 (Bohr^2): 1055.2476
Zero-point vibrational energy (Hartree): 0.186533
Internal energy at 0 K (Hartree): -366.233222
Internal energy at 298.15 K (Hartree): -366.223319
Enthalpy at 298.15 K (Hartree): -366.222374
Free energy at 298.15 K (Hartree): -366.267537
Heat capacity at 298.15 K (cal/mol K): 35.935
Atomization energy at 0 K (kcal/mol): -1882.904132909
Atomization energy at 298.15 K (kcal/mol): -1895.35328396
Atomization enthalpy at 298.15 K (kcal/mol): -1907.208183988
Atomization free energy at 298.15 K (kcal/mol): -1743.944774895