Molecule SMILES: CC1CCOCOCC1
Rotational constants A, B, C (GHz): 2.48656, 1.35866, 0.99227
Dipole moment mu (Debye): 0.7077
Isotropic polarizability alpha (Bohr^3): 82.13
HOMO energy (Hartree): -0.2541
LUMO energy (Hartree): 0.089
HOMO-LUMO gap (Hartree): 0.3431
Electronic spatial extent r2 (Bohr^2): 1279.4859
Zero-point vibrational energy (Hartree): 0.20757
Internal energy at 0 K (Hartree): -425.429097
Internal energy at 298.15 K (Hartree): -425.420134
Enthalpy at 298.15 K (Hartree): -425.41919
Free energy at 298.15 K (Hartree): -425.462426
Heat capacity at 298.15 K (cal/mol K): 34.841
Atomization energy at 0 K (kcal/mol): -2113.8977259171
Atomization energy at 298.15 K (kcal/mol): -2128.7144684251
Atomization enthalpy at 298.15 K (kcal/mol): -2141.7553604631
Atomization free energy at 298.15 K (kcal/mol): -1958.559127985