Molecule SMILES: CN(C)C(=O)CO
Rotational constants A, B, C (GHz): 4.84878, 1.85396, 1.3759
Dipole moment mu (Debye): 4.4338
Isotropic polarizability alpha (Bohr^3): 58.89
HOMO energy (Hartree): -0.2478
LUMO energy (Hartree): 0.0219
HOMO-LUMO gap (Hartree): 0.2698
Electronic spatial extent r2 (Bohr^2): 868.5575
Zero-point vibrational energy (Hartree): 0.13534
Internal energy at 0 K (Hartree): -362.937857
Internal energy at 298.15 K (Hartree): -362.929354
Enthalpy at 298.15 K (Hartree): -362.92841
Free energy at 298.15 K (Hartree): -362.97126
Heat capacity at 298.15 K (cal/mol K): 28.767
Atomization energy at 0 K (kcal/mol): -1465.417375137
Atomization energy at 298.15 K (kcal/mol): -1474.30102005
Atomization enthalpy at 298.15 K (kcal/mol): -1483.192195071
Atomization free energy at 298.15 K (kcal/mol): -1361.498747192