Molecule SMILES: CC(N1CC1)C(C)(C)C
Rotational constants A, B, C (GHz): 2.37646, 1.23152, 1.02687
Dipole moment mu (Debye): 0.966
Isotropic polarizability alpha (Bohr^3): 92.64
HOMO energy (Hartree): -0.2291
LUMO energy (Hartree): 0.0792
HOMO-LUMO gap (Hartree): 0.3083
Electronic spatial extent r2 (Bohr^2): 1355.7078
Zero-point vibrational energy (Hartree): 0.238119
Internal energy at 0 K (Hartree): -369.592231
Internal energy at 298.15 K (Hartree): -369.581326
Enthalpy at 298.15 K (Hartree): -369.580382
Free energy at 298.15 K (Hartree): -369.627451
Heat capacity at 298.15 K (cal/mol K): 42.075
Atomization energy at 0 K (kcal/mol): -2340.328073477
Atomization energy at 298.15 K (kcal/mol): -2356.592479248
Atomization enthalpy at 298.15 K (kcal/mol): -2371.412359301
Atomization free energy at 298.15 K (kcal/mol): -2166.323592831