Molecule SMILES: OCC1NC1C1COC1
Rotational constants A, B, C (GHz): 4.0915, 0.79826, 0.73363
Dipole moment mu (Debye): 1.4691
Isotropic polarizability alpha (Bohr^3): 75.41
HOMO energy (Hartree): -0.2484
LUMO energy (Hartree): 0.0649
HOMO-LUMO gap (Hartree): 0.3133
Electronic spatial extent r2 (Bohr^2): 1555.5951
Zero-point vibrational energy (Hartree): 0.171397
Internal energy at 0 K (Hartree): -440.222191
Internal energy at 298.15 K (Hartree): -440.212928
Enthalpy at 298.15 K (Hartree): -440.211984
Free energy at 298.15 K (Hartree): -440.258428
Heat capacity at 298.15 K (cal/mol K): 32.904
Atomization energy at 0 K (kcal/mol): -1835.8007973331
Atomization energy at 298.15 K (kcal/mol): -1847.7630014
Atomization enthalpy at 298.15 K (kcal/mol): -1859.024905423
Atomization free energy at 298.15 K (kcal/mol): -1702.035331312