Molecule SMILES: C1OC2OCC3C1C23
Rotational constants A, B, C (GHz): 3.35678, 2.80592, 2.16248
Dipole moment mu (Debye): 2.7643
Isotropic polarizability alpha (Bohr^3): 61.86
HOMO energy (Hartree): -0.2506
LUMO energy (Hartree): 0.0766
HOMO-LUMO gap (Hartree): 0.3271
Electronic spatial extent r2 (Bohr^2): 690.3172
Zero-point vibrational energy (Hartree): 0.134083
Internal energy at 0 K (Hartree): -383.736389
Internal energy at 298.15 K (Hartree): -383.730715
Enthalpy at 298.15 K (Hartree): -383.729771
Free energy at 298.15 K (Hartree): -383.766149
Heat capacity at 298.15 K (cal/mol K): 22.889
Atomization energy at 0 K (kcal/mol): -1584.093132235
Atomization energy at 298.15 K (kcal/mol): -1594.753255127
Atomization enthalpy at 298.15 K (kcal/mol): -1603.643802639
Atomization free energy at 298.15 K (kcal/mol): -1475.754958403