Molecule SMILES: CN(C)C(=O)C(O)CO
Rotational constants A, B, C (GHz): 2.02754, 1.3354, 0.93038
Dipole moment mu (Debye): 3.5528
Isotropic polarizability alpha (Bohr^3): 73.48
HOMO energy (Hartree): -0.2425
LUMO energy (Hartree): 0.0171
HOMO-LUMO gap (Hartree): 0.2596
Electronic spatial extent r2 (Bohr^2): 1317.5941
Zero-point vibrational energy (Hartree): 0.168938
Internal energy at 0 K (Hartree): -477.438502
Internal energy at 298.15 K (Hartree): -477.42773
Enthalpy at 298.15 K (Hartree): -477.426786
Free energy at 298.15 K (Hartree): -477.474946
Heat capacity at 298.15 K (cal/mol K): 37.703
Atomization energy at 0 K (kcal/mol): -1834.8620438691
Atomization energy at 298.15 K (kcal/mol): -1845.876709346
Atomization enthalpy at 298.15 K (kcal/mol): -1857.138613369
Atomization free energy at 298.15 K (kcal/mol): -1700.970448539