Molecule SMILES: C1OC2OC3C4C(C24)C13
Rotational constants A, B, C (GHz): 2.91898, 2.24121, 2.04154
Dipole moment mu (Debye): 2.347
Isotropic polarizability alpha (Bohr^3): 68.25
HOMO energy (Hartree): -0.2386
LUMO energy (Hartree): 0.0842
HOMO-LUMO gap (Hartree): 0.3229
Electronic spatial extent r2 (Bohr^2): 780.7937
Zero-point vibrational energy (Hartree): 0.140278
Internal energy at 0 K (Hartree): -421.803106
Internal energy at 298.15 K (Hartree): -421.797568
Enthalpy at 298.15 K (Hartree): -421.796624
Free energy at 298.15 K (Hartree): -421.832677
Heat capacity at 298.15 K (cal/mol K): 24.373
Atomization energy at 0 K (kcal/mol): -1722.1105992401
Atomization energy at 298.15 K (kcal/mol): -1733.745243609
Atomization enthalpy at 298.15 K (kcal/mol): -1743.228159617
Atomization free energy at 298.15 K (kcal/mol): -1604.526707802