Molecule SMILES: OC1C2OCOC1C=C2
Rotational constants A, B, C (GHz): 2.31313, 2.00882, 1.87698
Dipole moment mu (Debye): 2.4152
Isotropic polarizability alpha (Bohr^3): 66.69
HOMO energy (Hartree): -0.2432
LUMO energy (Hartree): -0.0186
HOMO-LUMO gap (Hartree): 0.2246
Electronic spatial extent r2 (Bohr^2): 860.8939
Zero-point vibrational energy (Hartree): 0.138675
Internal energy at 0 K (Hartree): -458.953637
Internal energy at 298.15 K (Hartree): -458.946739
Enthalpy at 298.15 K (Hartree): -458.945794
Free energy at 298.15 K (Hartree): -458.984546
Heat capacity at 298.15 K (cal/mol K): 28.136
Atomization energy at 0 K (kcal/mol): -1679.8943037561
Atomization energy at 298.15 K (kcal/mol): -1690.674908376
Atomization enthalpy at 298.15 K (kcal/mol): -1700.157196875
Atomization free energy at 298.15 K (kcal/mol): -1562.8939956881