Molecule SMILES: CCOC1CN(C)C1C
Rotational constants A, B, C (GHz): 3.14011, 0.90777, 0.78147
Dipole moment mu (Debye): 1.3562
Isotropic polarizability alpha (Bohr^3): 88.3
HOMO energy (Hartree): -0.2067
LUMO energy (Hartree): 0.0865
HOMO-LUMO gap (Hartree): 0.2932
Electronic spatial extent r2 (Bohr^2): 1605.4984
Zero-point vibrational energy (Hartree): 0.215043
Internal energy at 0 K (Hartree): -405.523726
Internal energy at 298.15 K (Hartree): -405.512979
Enthalpy at 298.15 K (Hartree): -405.512035
Free energy at 298.15 K (Hartree): -405.559871
Heat capacity at 298.15 K (cal/mol K): 38.773
Atomization energy at 0 K (kcal/mol): -2161.0073365831
Atomization energy at 298.15 K (kcal/mol): -2175.593155779
Atomization enthalpy at 298.15 K (kcal/mol): -2189.227043822
Atomization free energy at 298.15 K (kcal/mol): -2000.698239862