Molecule SMILES: C1CC2OC1C1OC21
Rotational constants A, B, C (GHz): 4.01139, 2.36341, 2.15829
Dipole moment mu (Debye): 2.9111
Isotropic polarizability alpha (Bohr^3): 61.77
HOMO energy (Hartree): -0.2522
LUMO energy (Hartree): 0.0888
HOMO-LUMO gap (Hartree): 0.341
Electronic spatial extent r2 (Bohr^2): 698.9445
Zero-point vibrational energy (Hartree): 0.133687
Internal energy at 0 K (Hartree): -383.722786
Internal energy at 298.15 K (Hartree): -383.717272
Enthalpy at 298.15 K (Hartree): -383.716328
Free energy at 298.15 K (Hartree): -383.752118
Heat capacity at 298.15 K (cal/mol K): 23.088
Atomization energy at 0 K (kcal/mol): -1575.557127308
Atomization energy at 298.15 K (kcal/mol): -1586.31765164
Atomization enthalpy at 298.15 K (kcal/mol): -1595.208199152
Atomization free energy at 298.15 K (kcal/mol): -1466.950379624