Molecule SMILES: CCOC1COC1C
Rotational constants A, B, C (GHz): 3.87961, 1.223, 1.02536
Dipole moment mu (Debye): 2.1783
Isotropic polarizability alpha (Bohr^3): 72.08
HOMO energy (Hartree): -0.244
LUMO energy (Hartree): 0.0779
HOMO-LUMO gap (Hartree): 0.3219
Electronic spatial extent r2 (Bohr^2): 1211.9981
Zero-point vibrational energy (Hartree): 0.175185
Internal energy at 0 K (Hartree): -386.118699
Internal energy at 298.15 K (Hartree): -386.109452
Enthalpy at 298.15 K (Hartree): -386.108507
Free energy at 298.15 K (Hartree): -386.153605
Heat capacity at 298.15 K (cal/mol K): 32.394
Atomization energy at 0 K (kcal/mol): -1823.3108581971
Atomization energy at 298.15 K (kcal/mol): -1835.283102408
Atomization enthalpy at 298.15 K (kcal/mol): -1846.545006431
Atomization free energy at 298.15 K (kcal/mol): -1691.459922135