Molecule SMILES: C1C2OCCOCOC12
Rotational constants A, B, C (GHz): 2.47389, 1.81698, 1.25406
Dipole moment mu (Debye): 1.6862
Isotropic polarizability alpha (Bohr^3): 71.26
HOMO energy (Hartree): -0.2281
LUMO energy (Hartree): 0.0727
HOMO-LUMO gap (Hartree): 0.3008
Electronic spatial extent r2 (Bohr^2): 1025.8826
Zero-point vibrational energy (Hartree): 0.160854
Internal energy at 0 K (Hartree): -460.115946
Internal energy at 298.15 K (Hartree): -460.108329
Enthalpy at 298.15 K (Hartree): -460.107385
Free energy at 298.15 K (Hartree): -460.147837
Heat capacity at 298.15 K (cal/mol K): 30.246
Atomization energy at 0 K (kcal/mol): -1781.4020421231
Atomization energy at 298.15 K (kcal/mol): -1793.50857326
Atomization enthalpy at 298.15 K (kcal/mol): -1804.177481278
Atomization free energy at 298.15 K (kcal/mol): -1651.6469861211