Molecule SMILES: CC1N(C)C2C3CC12O3
Rotational constants A, B, C (GHz): 2.73967, 1.56171, 1.22177
Dipole moment mu (Debye): 1.957
Isotropic polarizability alpha (Bohr^3): 81.37
HOMO energy (Hartree): -0.2179
LUMO energy (Hartree): 0.0491
HOMO-LUMO gap (Hartree): 0.267
Electronic spatial extent r2 (Bohr^2): 1095.4031
Zero-point vibrational energy (Hartree): 0.168933
Internal energy at 0 K (Hartree): -402.980847
Internal energy at 298.15 K (Hartree): -402.972532
Enthalpy at 298.15 K (Hartree): -402.971588
Free energy at 298.15 K (Hartree): -403.013142
Heat capacity at 298.15 K (cal/mol K): 32.989
Atomization energy at 0 K (kcal/mol): -1821.031118
Atomization energy at 298.15 K (kcal/mol): -1833.5888281081
Atomization enthalpy at 298.15 K (kcal/mol): -1844.850732131
Atomization free energy at 298.15 K (kcal/mol): -1685.0480351731