Molecule SMILES: CC1CCOCOC1C
Rotational constants A, B, C (GHz): 2.26928, 1.49068, 1.05284
Dipole moment mu (Debye): 1.871
Isotropic polarizability alpha (Bohr^3): 81.59
HOMO energy (Hartree): -0.2515
LUMO energy (Hartree): 0.0795
HOMO-LUMO gap (Hartree): 0.331
Electronic spatial extent r2 (Bohr^2): 1239.5879
Zero-point vibrational energy (Hartree): 0.20694
Internal energy at 0 K (Hartree): -425.433293
Internal energy at 298.15 K (Hartree): -425.424185
Enthalpy at 298.15 K (Hartree): -425.423241
Free energy at 298.15 K (Hartree): -425.466835
Heat capacity at 298.15 K (cal/mol K): 35.535
Atomization energy at 0 K (kcal/mol): -2116.5307536811
Atomization energy at 298.15 K (kcal/mol): -2131.2565073841
Atomization enthalpy at 298.15 K (kcal/mol): -2144.2973994221
Atomization free energy at 298.15 K (kcal/mol): -1961.325815166