Molecule SMILES: CN(C)CC(=O)OC
Rotational constants A, B, C (GHz): 5.05807, 1.04938, 0.93657
Dipole moment mu (Debye): 1.8579
Isotropic polarizability alpha (Bohr^3): 69.66
HOMO energy (Hartree): -0.2144
LUMO energy (Hartree): 0.0165
HOMO-LUMO gap (Hartree): 0.2309
Electronic spatial extent r2 (Bohr^2): 1293.1905
Zero-point vibrational energy (Hartree): 0.163037
Internal energy at 0 K (Hartree): -402.213721
Internal energy at 298.15 K (Hartree): -402.203984
Enthalpy at 298.15 K (Hartree): -402.20304
Free energy at 298.15 K (Hartree): -402.248815
Heat capacity at 298.15 K (cal/mol K): 33.418
Atomization energy at 0 K (kcal/mol): -1734.3338470511
Atomization energy at 298.15 K (kcal/mol): -1745.109431599
Atomization enthalpy at 298.15 K (kcal/mol): -1755.778967126
Atomization free energy at 298.15 K (kcal/mol): -1608.978256648