Molecule SMILES: C1C2OC2C2C3OC2C13
Rotational constants A, B, C (GHz): 3.61646, 1.69925, 1.43801
Dipole moment mu (Debye): 2.2538
Isotropic polarizability alpha (Bohr^3): 70.05
HOMO energy (Hartree): -0.2366
LUMO energy (Hartree): 0.0714
HOMO-LUMO gap (Hartree): 0.3079
Electronic spatial extent r2 (Bohr^2): 909.3173
Zero-point vibrational energy (Hartree): 0.138294
Internal energy at 0 K (Hartree): -421.74705
Internal energy at 298.15 K (Hartree): -421.740941
Enthalpy at 298.15 K (Hartree): -421.739997
Free energy at 298.15 K (Hartree): -421.777302
Heat capacity at 298.15 K (cal/mol K): 25.821
Atomization energy at 0 K (kcal/mol): -1686.9349547361
Atomization energy at 298.15 K (kcal/mol): -1698.2112914661
Atomization enthalpy at 298.15 K (kcal/mol): -1707.694207474
Atomization free energy at 298.15 K (kcal/mol): -1569.7783969271