Molecule SMILES: CN(C)C1(COC1)CO
Rotational constants A, B, C (GHz): 1.85362, 1.56348, 1.18635
Dipole moment mu (Debye): 2.91
Isotropic polarizability alpha (Bohr^3): 77.69
HOMO energy (Hartree): -0.2263
LUMO energy (Hartree): 0.0636
HOMO-LUMO gap (Hartree): 0.2899
Electronic spatial extent r2 (Bohr^2): 1191.7759
Zero-point vibrational energy (Hartree): 0.193274
Internal energy at 0 K (Hartree): -441.433072
Internal energy at 298.15 K (Hartree): -441.423203
Enthalpy at 298.15 K (Hartree): -441.422258
Free energy at 298.15 K (Hartree): -441.467764
Heat capacity at 298.15 K (cal/mol K): 36.657
Atomization energy at 0 K (kcal/mol): -1967.787902848
Atomization energy at 298.15 K (kcal/mol): -1981.146941949
Atomization enthalpy at 298.15 K (kcal/mol): -1993.594210473
Atomization free energy at 298.15 K (kcal/mol): -1819.68197365