Molecule SMILES: CCOC1OCC2OC12
Rotational constants A, B, C (GHz): 4.05491, 1.00184, 0.89071
Dipole moment mu (Debye): 2.4064
Isotropic polarizability alpha (Bohr^3): 72.6
HOMO energy (Hartree): -0.256
LUMO energy (Hartree): 0.0789
HOMO-LUMO gap (Hartree): 0.3348
Electronic spatial extent r2 (Bohr^2): 1359.4238
Zero-point vibrational energy (Hartree): 0.158406
Internal energy at 0 K (Hartree): -460.13856
Internal energy at 298.15 K (Hartree): -460.129868
Enthalpy at 298.15 K (Hartree): -460.128924
Free energy at 298.15 K (Hartree): -460.172921
Heat capacity at 298.15 K (cal/mol K): 31.456
Atomization energy at 0 K (kcal/mol): -1795.5925306491
Atomization energy at 298.15 K (kcal/mol): -1807.024489611
Atomization enthalpy at 298.15 K (kcal/mol): -1817.693397629
Atomization free energy at 298.15 K (kcal/mol): -1667.387421877