Molecule SMILES: CN(C)C1C2NC1C2O
Rotational constants A, B, C (GHz): 3.03199, 1.22465, 1.00618
Dipole moment mu (Debye): 1.7893
Isotropic polarizability alpha (Bohr^3): 80.62
HOMO energy (Hartree): -0.1951
LUMO energy (Hartree): 0.0706
HOMO-LUMO gap (Hartree): 0.2656
Electronic spatial extent r2 (Bohr^2): 1253.5327
Zero-point vibrational energy (Hartree): 0.182425
Internal energy at 0 K (Hartree): -420.305561
Internal energy at 298.15 K (Hartree): -420.296487
Enthalpy at 298.15 K (Hartree): -420.295543
Free energy at 298.15 K (Hartree): -420.339253
Heat capacity at 298.15 K (cal/mol K): 34.764
Atomization energy at 0 K (kcal/mol): -1875.845284168
Atomization energy at 298.15 K (kcal/mol): -1888.8146401801
Atomization enthalpy at 298.15 K (kcal/mol): -1900.669540208
Atomization free energy at 298.15 K (kcal/mol): -1733.745243609