Molecule SMILES: CC1NC(=O)C2(C)NC12
Rotational constants A, B, C (GHz): 2.66531, 1.57446, 1.14206
Dipole moment mu (Debye): 4.0277
Isotropic polarizability alpha (Bohr^3): 76.23
HOMO energy (Hartree): -0.2293
LUMO energy (Hartree): 0.0279
HOMO-LUMO gap (Hartree): 0.2572
Electronic spatial extent r2 (Bohr^2): 1115.2354
Zero-point vibrational energy (Hartree): 0.160018
Internal energy at 0 K (Hartree): -419.23727
Internal energy at 298.15 K (Hartree): -419.228572
Enthalpy at 298.15 K (Hartree): -419.227628
Free energy at 298.15 K (Hartree): -419.270244
Heat capacity at 298.15 K (cal/mol K): 33.206
Atomization energy at 0 K (kcal/mol): -1833.3346869631
Atomization energy at 298.15 K (kcal/mol): -1844.762880871
Atomization enthalpy at 298.15 K (kcal/mol): -1855.431788889
Atomization free energy at 298.15 K (kcal/mol): -1704.155056714