Molecule SMILES: CC1OC(C)C2(C)NC12
Rotational constants A, B, C (GHz): 2.46002, 1.53924, 1.15181
Dipole moment mu (Debye): 2.7069
Isotropic polarizability alpha (Bohr^3): 82.55
HOMO energy (Hartree): -0.233
LUMO energy (Hartree): 0.0731
HOMO-LUMO gap (Hartree): 0.3061
Electronic spatial extent r2 (Bohr^2): 1180.0247
Zero-point vibrational energy (Hartree): 0.193736
Internal energy at 0 K (Hartree): -404.347324
Internal energy at 298.15 K (Hartree): -404.338058
Enthalpy at 298.15 K (Hartree): -404.337114
Free energy at 298.15 K (Hartree): -404.380674
Heat capacity at 298.15 K (cal/mol K): 35.88
Atomization energy at 0 K (kcal/mol): -2050.6561138791
Atomization energy at 298.15 K (kcal/mol): -2064.394168416
Atomization enthalpy at 298.15 K (kcal/mol): -2076.842064449
Atomization free energy at 298.15 K (kcal/mol): -1901.964091275