Molecule SMILES: CC(N(C)C)C(=O)CO
Rotational constants A, B, C (GHz): 2.87911, 0.96841, 0.84971
Dipole moment mu (Debye): 3.1871
Isotropic polarizability alpha (Bohr^3): 79.89
HOMO energy (Hartree): -0.2231
LUMO energy (Hartree): -0.0265
HOMO-LUMO gap (Hartree): 0.1966
Electronic spatial extent r2 (Bohr^2): 1467.3507
Zero-point vibrational energy (Hartree): 0.190802
Internal energy at 0 K (Hartree): -441.479377
Internal energy at 298.15 K (Hartree): -441.468464
Enthalpy at 298.15 K (Hartree): -441.46752
Free energy at 298.15 K (Hartree): -441.51579
Heat capacity at 298.15 K (cal/mol K): 39.177
Atomization energy at 0 K (kcal/mol): -1996.844707093
Atomization energy at 298.15 K (kcal/mol): -2009.548626798
Atomization enthalpy at 298.15 K (kcal/mol): -2021.996522831
Atomization free energy at 298.15 K (kcal/mol): -1849.818720884