Molecule SMILES: C1CN(C1)C(=O)CO
Rotational constants A, B, C (GHz): 5.08398, 1.24587, 1.02649
Dipole moment mu (Debye): 4.9528
Isotropic polarizability alpha (Bohr^3): 66.57
HOMO energy (Hartree): -0.2465
LUMO energy (Hartree): 0.0217
HOMO-LUMO gap (Hartree): 0.2681
Electronic spatial extent r2 (Bohr^2): 1119.7877
Zero-point vibrational energy (Hartree): 0.142183
Internal energy at 0 K (Hartree): -401.010644
Internal energy at 298.15 K (Hartree): -401.002265
Enthalpy at 298.15 K (Hartree): -401.00132
Free energy at 298.15 K (Hartree): -401.044717
Heat capacity at 298.15 K (cal/mol K): 28.931
Atomization energy at 0 K (kcal/mol): -1607.2438217721
Atomization energy at 298.15 K (kcal/mol): -1617.0944580541
Atomization enthalpy at 298.15 K (kcal/mol): -1626.577374062
Atomization free energy at 298.15 K (kcal/mol): -1494.618506452