Molecule SMILES: CC(C)N(C)C(=O)C=O
Rotational constants A, B, C (GHz): 2.71331, 1.08326, 0.91656
Dipole moment mu (Debye): 2.8111
Isotropic polarizability alpha (Bohr^3): 78.28
HOMO energy (Hartree): -0.2471
LUMO energy (Hartree): -0.0703
HOMO-LUMO gap (Hartree): 0.1769
Electronic spatial extent r2 (Bohr^2): 1356.3057
Zero-point vibrational energy (Hartree): 0.16803
Internal energy at 0 K (Hartree): -440.319181
Internal energy at 298.15 K (Hartree): -440.3085
Enthalpy at 298.15 K (Hartree): -440.307555
Free energy at 298.15 K (Hartree): -440.356072
Heat capacity at 298.15 K (cal/mol K): 37.154
Atomization energy at 0 K (kcal/mol): -1896.6628952431
Atomization energy at 298.15 K (kcal/mol): -1907.735291548
Atomization enthalpy at 298.15 K (kcal/mol): -1918.996568062
Atomization free energy at 298.15 K (kcal/mol): -1763.307820108