Molecule SMILES: CN(C)C(CC=O)C=O
Rotational constants A, B, C (GHz): 2.40299, 1.00426, 0.84532
Dipole moment mu (Debye): 1.1803
Isotropic polarizability alpha (Bohr^3): 77.61
HOMO energy (Hartree): -0.214
LUMO energy (Hartree): -0.0357
HOMO-LUMO gap (Hartree): 0.1783
Electronic spatial extent r2 (Bohr^2): 1427.732
Zero-point vibrational energy (Hartree): 0.166495
Internal energy at 0 K (Hartree): -440.279341
Internal energy at 298.15 K (Hartree): -440.268573
Enthalpy at 298.15 K (Hartree): -440.267629
Free energy at 298.15 K (Hartree): -440.316274
Heat capacity at 298.15 K (cal/mol K): 36.864
Atomization energy at 0 K (kcal/mol): -1871.662936683
Atomization energy at 298.15 K (kcal/mol): -1882.6807397051
Atomization enthalpy at 298.15 K (kcal/mol): -1893.942643728
Atomization free energy at 298.15 K (kcal/mol): -1738.3342169261