Molecule SMILES: CC1(CN(C1)C)OC
Rotational constants A, B, C (GHz): 3.86521, 1.35891, 1.241
Dipole moment mu (Debye): 1.6015
Isotropic polarizability alpha (Bohr^3): 76.19
HOMO energy (Hartree): -0.2056
LUMO energy (Hartree): 0.0816
HOMO-LUMO gap (Hartree): 0.2872
Electronic spatial extent r2 (Bohr^2): 1105.0425
Zero-point vibrational energy (Hartree): 0.186517
Internal energy at 0 K (Hartree): -366.227444
Internal energy at 298.15 K (Hartree): -366.218159
Enthalpy at 298.15 K (Hartree): -366.217215
Free energy at 298.15 K (Hartree): -366.260966
Heat capacity at 298.15 K (cal/mol K): 34.172
Atomization energy at 0 K (kcal/mol): -1879.278385907
Atomization energy at 298.15 K (kcal/mol): -1892.11533752
Atomization enthalpy at 298.15 K (kcal/mol): -1903.970865057
Atomization free energy at 298.15 K (kcal/mol): -1739.821413256