Molecule SMILES: C1OC2OC1C1OC21
Rotational constants A, B, C (GHz): 4.22777, 2.42663, 2.23898
Dipole moment mu (Debye): 2.1423
Isotropic polarizability alpha (Bohr^3): 54.56
HOMO energy (Hartree): -0.2584
LUMO energy (Hartree): 0.0832
HOMO-LUMO gap (Hartree): 0.3416
Electronic spatial extent r2 (Bohr^2): 653.5267
Zero-point vibrational energy (Hartree): 0.109655
Internal energy at 0 K (Hartree): -419.642619
Internal energy at 298.15 K (Hartree): -419.63739
Enthalpy at 298.15 K (Hartree): -419.636446
Free energy at 298.15 K (Hartree): -419.671742
Heat capacity at 298.15 K (cal/mol K): 21.476
Atomization energy at 0 K (kcal/mol): -1388.9183804561
Atomization energy at 298.15 K (kcal/mol): -1398.080011856
Atomization enthalpy at 298.15 K (kcal/mol): -1405.784567358
Atomization free energy at 298.15 K (kcal/mol): -1293.295421491