Molecule SMILES: CC1N(C)C(CO)C1=O
Rotational constants A, B, C (GHz): 1.77558, 1.57309, 1.18149
Dipole moment mu (Debye): 3.8815
Isotropic polarizability alpha (Bohr^3): 76.73
HOMO energy (Hartree): -0.2429
LUMO energy (Hartree): -0.0265
HOMO-LUMO gap (Hartree): 0.2163
Electronic spatial extent r2 (Bohr^2): 1192.2419
Zero-point vibrational energy (Hartree): 0.168646
Internal energy at 0 K (Hartree): -440.27848
Internal energy at 298.15 K (Hartree): -440.268634
Enthalpy at 298.15 K (Hartree): -440.267689
Free energy at 298.15 K (Hartree): -440.313387
Heat capacity at 298.15 K (cal/mol K): 35.641
Atomization energy at 0 K (kcal/mol): -1871.122651434
Atomization energy at 298.15 K (kcal/mol): -1882.7190177541
Atomization enthalpy at 298.15 K (kcal/mol): -1893.980294268
Atomization free energy at 298.15 K (kcal/mol): -1736.522598443