Molecule SMILES: CN(C)C(=O)C1(CC1)O
Rotational constants A, B, C (GHz): 2.72466, 1.29746, 1.01306
Dipole moment mu (Debye): 2.3536
Isotropic polarizability alpha (Bohr^3): 77.68
HOMO energy (Hartree): -0.2319
LUMO energy (Hartree): 0.0216
HOMO-LUMO gap (Hartree): 0.2534
Electronic spatial extent r2 (Bohr^2): 1243.0816
Zero-point vibrational energy (Hartree): 0.168815
Internal energy at 0 K (Hartree): -440.291982
Internal energy at 298.15 K (Hartree): -440.281768
Enthalpy at 298.15 K (Hartree): -440.280824
Free energy at 298.15 K (Hartree): -440.327689
Heat capacity at 298.15 K (cal/mol K): 36.829
Atomization energy at 0 K (kcal/mol): -1879.5952779521
Atomization energy at 298.15 K (kcal/mol): -1890.96072096
Atomization enthalpy at 298.15 K (kcal/mol): -1902.222624983
Atomization free energy at 298.15 K (kcal/mol): -1745.497232161