Molecule SMILES: CCN(C(C)C)C(=O)C
Rotational constants A, B, C (GHz): 1.79607, 1.40876, 0.97457
Dipole moment mu (Debye): 3.4315
Isotropic polarizability alpha (Bohr^3): 86.88
HOMO energy (Hartree): -0.2293
LUMO energy (Hartree): 0.036
HOMO-LUMO gap (Hartree): 0.2654
Electronic spatial extent r2 (Bohr^2): 1379.6434
Zero-point vibrational energy (Hartree): 0.215159
Internal energy at 0 K (Hartree): -405.59139
Internal energy at 298.15 K (Hartree): -405.580162
Enthalpy at 298.15 K (Hartree): -405.579218
Free energy at 298.15 K (Hartree): -405.627566
Heat capacity at 298.15 K (cal/mol K): 41.061
Atomization energy at 0 K (kcal/mol): -2203.467105559
Atomization energy at 298.15 K (kcal/mol): -2217.751092926
Atomization enthalpy at 298.15 K (kcal/mol): -2231.384980969
Atomization free energy at 298.15 K (kcal/mol): -2043.177461617