Molecule SMILES: CC(C)N(C)C(=N)C=O
Rotational constants A, B, C (GHz): 3.04888, 0.99108, 0.86227
Dipole moment mu (Debye): 3.6084
Isotropic polarizability alpha (Bohr^3): 82.95
HOMO energy (Hartree): -0.2258
LUMO energy (Hartree): -0.0667
HOMO-LUMO gap (Hartree): 0.159
Electronic spatial extent r2 (Bohr^2): 1423.9051
Zero-point vibrational energy (Hartree): 0.180203
Internal energy at 0 K (Hartree): -420.41473
Internal energy at 298.15 K (Hartree): -420.404025
Enthalpy at 298.15 K (Hartree): -420.40308
Free energy at 298.15 K (Hartree): -420.450827
Heat capacity at 298.15 K (cal/mol K): 38.021
Atomization energy at 0 K (kcal/mol): -1944.3498141891
Atomization energy at 298.15 K (kcal/mol): -1956.295703022
Atomization enthalpy at 298.15 K (kcal/mol): -1968.149975541
Atomization free energy at 298.15 K (kcal/mol): -1803.758932775