Molecule SMILES: C1OC2C3OCOC1C23
Rotational constants A, B, C (GHz): 2.58406, 2.16644, 1.6954
Dipole moment mu (Debye): 1.8234
Isotropic polarizability alpha (Bohr^3): 65.59
HOMO energy (Hartree): -0.2218
LUMO energy (Hartree): 0.0717
HOMO-LUMO gap (Hartree): 0.2935
Electronic spatial extent r2 (Bohr^2): 851.5386
Zero-point vibrational energy (Hartree): 0.139226
Internal energy at 0 K (Hartree): -458.930238
Internal energy at 298.15 K (Hartree): -458.923895
Enthalpy at 298.15 K (Hartree): -458.922951
Free energy at 298.15 K (Hartree): -458.960802
Heat capacity at 298.15 K (cal/mol K): 26.015
Atomization energy at 0 K (kcal/mol): -1665.2112206651
Atomization energy at 298.15 K (kcal/mol): -1676.3400927801
Atomization enthalpy at 298.15 K (kcal/mol): -1685.8230087881
Atomization free energy at 298.15 K (kcal/mol): -1547.994421992