Molecule SMILES: CC1CCN(C)C(=O)O1
Rotational constants A, B, C (GHz): 2.88146, 1.35982, 0.96782
Dipole moment mu (Debye): 4.9346
Isotropic polarizability alpha (Bohr^3): 76.99
HOMO energy (Hartree): -0.2381
LUMO energy (Hartree): 0.0563
HOMO-LUMO gap (Hartree): 0.2944
Electronic spatial extent r2 (Bohr^2): 1246.3394
Zero-point vibrational energy (Hartree): 0.171644
Internal energy at 0 K (Hartree): -440.345148
Internal energy at 298.15 K (Hartree): -440.336008
Enthalpy at 298.15 K (Hartree): -440.335064
Free energy at 298.15 K (Hartree): -440.379209
Heat capacity at 298.15 K (cal/mol K): 33.458
Atomization energy at 0 K (kcal/mol): -1912.9574214461
Atomization energy at 298.15 K (kcal/mol): -1924.9968091201
Atomization enthalpy at 298.15 K (kcal/mol): -1936.258713143
Atomization free energy at 298.15 K (kcal/mol): -1777.8264958411