Molecule SMILES: OC1CN2CC3OCC123
Rotational constants A, B, C (GHz): 2.74932, 1.66255, 1.34124
Dipole moment mu (Debye): 2.9488
Isotropic polarizability alpha (Bohr^3): 71.33
HOMO energy (Hartree): -0.2203
LUMO energy (Hartree): 0.0507
HOMO-LUMO gap (Hartree): 0.271
Electronic spatial extent r2 (Bohr^2): 996.0831
Zero-point vibrational energy (Hartree): 0.148192
Internal energy at 0 K (Hartree): -438.999549
Internal energy at 298.15 K (Hartree): -438.99199
Enthalpy at 298.15 K (Hartree): -438.991046
Free energy at 298.15 K (Hartree): -439.031575
Heat capacity at 298.15 K (cal/mol K): 29.588
Atomization energy at 0 K (kcal/mol): -1696.433558469
Atomization energy at 298.15 K (kcal/mol): -1707.687932384
Atomization enthalpy at 298.15 K (kcal/mol): -1717.763844397
Atomization free energy at 298.15 K (kcal/mol): -1573.396613821