Molecule SMILES: CC1CN(C)CC(=O)O1
Rotational constants A, B, C (GHz): 1.92985, 1.67196, 0.94047
Dipole moment mu (Debye): 4.4757
Isotropic polarizability alpha (Bohr^3): 76.89
HOMO energy (Hartree): -0.2313
LUMO energy (Hartree): 0.0155
HOMO-LUMO gap (Hartree): 0.2468
Electronic spatial extent r2 (Bohr^2): 1267.484
Zero-point vibrational energy (Hartree): 0.170768
Internal energy at 0 K (Hartree): -440.320258
Internal energy at 298.15 K (Hartree): -440.311256
Enthalpy at 298.15 K (Hartree): -440.310312
Free energy at 298.15 K (Hartree): -440.353972
Heat capacity at 298.15 K (cal/mol K): 33.608
Atomization energy at 0 K (kcal/mol): -1897.3387224361
Atomization energy at 298.15 K (kcal/mol): -1909.4647063521
Atomization enthalpy at 298.15 K (kcal/mol): -1920.726610375
Atomization free energy at 298.15 K (kcal/mol): -1761.9900512081