Molecule SMILES: CC1OC(=N)C2OCC12
Rotational constants A, B, C (GHz): 2.32598, 1.85438, 1.19157
Dipole moment mu (Debye): 4.3272
Isotropic polarizability alpha (Bohr^3): 72.96
HOMO energy (Hartree): -0.2541
LUMO energy (Hartree): 0.006
HOMO-LUMO gap (Hartree): 0.2601
Electronic spatial extent r2 (Bohr^2): 1055.3616
Zero-point vibrational energy (Hartree): 0.148974
Internal energy at 0 K (Hartree): -439.083344
Internal energy at 298.15 K (Hartree): -439.075488
Enthalpy at 298.15 K (Hartree): -439.074543
Free energy at 298.15 K (Hartree): -439.116077
Heat capacity at 298.15 K (cal/mol K): 29.725
Atomization energy at 0 K (kcal/mol): -1749.0156751241
Atomization energy at 298.15 K (kcal/mol): -1760.0836788661
Atomization enthalpy at 298.15 K (kcal/mol): -1770.15896337
Atomization free energy at 298.15 K (kcal/mol): -1626.4223793391