Molecule SMILES: CCN(C)C(=O)OCC
Rotational constants A, B, C (GHz): 3.35443, 0.8676, 0.74826
Dipole moment mu (Debye): 2.2532
Isotropic polarizability alpha (Bohr^3): 81.16
HOMO energy (Hartree): -0.2326
LUMO energy (Hartree): 0.0649
HOMO-LUMO gap (Hartree): 0.2975
Electronic spatial extent r2 (Bohr^2): 1630.1089
Zero-point vibrational energy (Hartree): 0.192044
Internal energy at 0 K (Hartree): -441.535196
Internal energy at 298.15 K (Hartree): -441.523856
Enthalpy at 298.15 K (Hartree): -441.522912
Free energy at 298.15 K (Hartree): -441.573412
Heat capacity at 298.15 K (cal/mol K): 38.535
Atomization energy at 0 K (kcal/mol): -2031.871631964
Atomization energy at 298.15 K (kcal/mol): -2044.307605326
Atomization enthalpy at 298.15 K (kcal/mol): -2056.755501359
Atomization free energy at 298.15 K (kcal/mol): -1885.977044482