Molecule SMILES: CC1OC2OC1C1OC21
Rotational constants A, B, C (GHz): 3.08306, 1.75461, 1.55671
Dipole moment mu (Debye): 2.3685
Isotropic polarizability alpha (Bohr^3): 65.26
HOMO energy (Hartree): -0.2561
LUMO energy (Hartree): 0.0743
HOMO-LUMO gap (Hartree): 0.3304
Electronic spatial extent r2 (Bohr^2): 904.7459
Zero-point vibrational energy (Hartree): 0.137493
Internal energy at 0 K (Hartree): -458.935969
Internal energy at 298.15 K (Hartree): -458.929292
Enthalpy at 298.15 K (Hartree): -458.928347
Free energy at 298.15 K (Hartree): -458.9668
Heat capacity at 298.15 K (cal/mol K): 27.264
Atomization energy at 0 K (kcal/mol): -1668.8074747441
Atomization energy at 298.15 K (kcal/mol): -1679.726758853
Atomization enthalpy at 298.15 K (kcal/mol): -1689.209047352
Atomization free energy at 298.15 K (kcal/mol): -1551.758220974