Molecule SMILES: CCC1N(C)C1(C)C
Rotational constants A, B, C (GHz): 2.88552, 1.40441, 1.27566
Dipole moment mu (Debye): 1.2599
Isotropic polarizability alpha (Bohr^3): 82.79
HOMO energy (Hartree): -0.2099
LUMO energy (Hartree): 0.0794
HOMO-LUMO gap (Hartree): 0.2893
Electronic spatial extent r2 (Bohr^2): 1152.9877
Zero-point vibrational energy (Hartree): 0.209228
Internal energy at 0 K (Hartree): -330.309317
Internal energy at 298.15 K (Hartree): -330.299034
Enthalpy at 298.15 K (Hartree): -330.298089
Free energy at 298.15 K (Hartree): -330.343807
Heat capacity at 298.15 K (cal/mol K): 37.715
Atomization energy at 0 K (kcal/mol): -2066.987663113
Atomization energy at 298.15 K (kcal/mol): -2080.976093741
Atomization enthalpy at 298.15 K (kcal/mol): -2094.016985779
Atomization free energy at 298.15 K (kcal/mol): -1915.0231810741