Molecule SMILES: CCN(C)C(=O)C(C)O
Rotational constants A, B, C (GHz): 2.72745, 1.06159, 0.86619
Dipole moment mu (Debye): 4.2673
Isotropic polarizability alpha (Bohr^3): 80.14
HOMO energy (Hartree): -0.2448
LUMO energy (Hartree): 0.0224
HOMO-LUMO gap (Hartree): 0.2673
Electronic spatial extent r2 (Bohr^2): 1436.4496
Zero-point vibrational energy (Hartree): 0.192033
Internal energy at 0 K (Hartree): -441.519903
Internal energy at 298.15 K (Hartree): -441.508929
Enthalpy at 298.15 K (Hartree): -441.507985
Free energy at 298.15 K (Hartree): -441.556383
Heat capacity at 298.15 K (cal/mol K): 39.154
Atomization energy at 0 K (kcal/mol): -2022.275136827
Atomization energy at 298.15 K (kcal/mol): -2034.9407784831
Atomization enthalpy at 298.15 K (kcal/mol): -2047.388674516
Atomization free energy at 298.15 K (kcal/mol): -1875.291193721