Molecule SMILES: CC1(C)OC(=N)C2OC12
Rotational constants A, B, C (GHz): 2.57358, 1.61276, 1.31431
Dipole moment mu (Debye): 3.5645
Isotropic polarizability alpha (Bohr^3): 73.3
HOMO energy (Hartree): -0.2613
LUMO energy (Hartree): 0.0057
HOMO-LUMO gap (Hartree): 0.267
Electronic spatial extent r2 (Bohr^2): 1039.5239
Zero-point vibrational energy (Hartree): 0.146772
Internal energy at 0 K (Hartree): -439.093134
Internal energy at 298.15 K (Hartree): -439.084867
Enthalpy at 298.15 K (Hartree): -439.083923
Free energy at 298.15 K (Hartree): -439.125571
Heat capacity at 298.15 K (cal/mol K): 32.073
Atomization energy at 0 K (kcal/mol): -1755.1589882341
Atomization energy at 298.15 K (kcal/mol): -1765.969085777
Atomization enthalpy at 298.15 K (kcal/mol): -1776.0449977901
Atomization free energy at 298.15 K (kcal/mol): -1632.379949785