Molecule SMILES: OC1CC2OCCOC12
Rotational constants A, B, C (GHz): 2.38862, 1.76878, 1.44385
Dipole moment mu (Debye): 1.751
Isotropic polarizability alpha (Bohr^3): 70.77
HOMO energy (Hartree): -0.2321
LUMO energy (Hartree): 0.0582
HOMO-LUMO gap (Hartree): 0.2903
Electronic spatial extent r2 (Bohr^2): 989.644
Zero-point vibrational energy (Hartree): 0.16034
Internal energy at 0 K (Hartree): -460.129541
Internal energy at 298.15 K (Hartree): -460.12153
Enthalpy at 298.15 K (Hartree): -460.120586
Free energy at 298.15 K (Hartree): -460.162305
Heat capacity at 298.15 K (cal/mol K): 30.889
Atomization energy at 0 K (kcal/mol): -1789.9330269781
Atomization energy at 298.15 K (kcal/mol): -1801.792319569
Atomization enthalpy at 298.15 K (kcal/mol): -1812.461227587
Atomization free energy at 298.15 K (kcal/mol): -1660.725786333