Molecule SMILES: CC1OCC2OCOC12
Rotational constants A, B, C (GHz): 2.62802, 1.75791, 1.3062
Dipole moment mu (Debye): 0.1578
Isotropic polarizability alpha (Bohr^3): 69.15
HOMO energy (Hartree): -0.2465
LUMO energy (Hartree): 0.0682
HOMO-LUMO gap (Hartree): 0.3147
Electronic spatial extent r2 (Bohr^2): 1007.6252
Zero-point vibrational energy (Hartree): 0.161254
Internal energy at 0 K (Hartree): -460.166382
Internal energy at 298.15 K (Hartree): -460.158653
Enthalpy at 298.15 K (Hartree): -460.157709
Free energy at 298.15 K (Hartree): -460.198869
Heat capacity at 298.15 K (cal/mol K): 29.583
Atomization energy at 0 K (kcal/mol): -1813.0510860471
Atomization energy at 298.15 K (kcal/mol): -1825.0873361761
Atomization enthalpy at 298.15 K (kcal/mol): -1835.7562441941
Atomization free energy at 298.15 K (kcal/mol): -1683.670025409