Molecule SMILES: CCN(C)C(=O)C1CO1
Rotational constants A, B, C (GHz): 2.96954, 1.08007, 0.92308
Dipole moment mu (Debye): 2.6374
Isotropic polarizability alpha (Bohr^3): 76.99
HOMO energy (Hartree): -0.2382
LUMO energy (Hartree): 0.0123
HOMO-LUMO gap (Hartree): 0.2504
Electronic spatial extent r2 (Bohr^2): 1351.2986
Zero-point vibrational energy (Hartree): 0.169059
Internal energy at 0 K (Hartree): -440.284391
Internal energy at 298.15 K (Hartree): -440.274113
Enthalpy at 298.15 K (Hartree): -440.273169
Free energy at 298.15 K (Hartree): -440.32112
Heat capacity at 298.15 K (cal/mol K): 35.475
Atomization energy at 0 K (kcal/mol): -1874.8318571331
Atomization energy at 298.15 K (kcal/mol): -1886.157139565
Atomization enthalpy at 298.15 K (kcal/mol): -1897.419043588
Atomization free energy at 298.15 K (kcal/mol): -1741.37512554