Molecule SMILES: CC1(C)C2CN2C1(C)C
Rotational constants A, B, C (GHz): 1.87914, 1.75743, 1.48653
Dipole moment mu (Debye): 1.5009
Isotropic polarizability alpha (Bohr^3): 88.07
HOMO energy (Hartree): -0.224
LUMO energy (Hartree): 0.078
HOMO-LUMO gap (Hartree): 0.302
Electronic spatial extent r2 (Bohr^2): 1119.6756
Zero-point vibrational energy (Hartree): 0.215606
Internal energy at 0 K (Hartree): -368.379021
Internal energy at 298.15 K (Hartree): -368.36917
Enthalpy at 298.15 K (Hartree): -368.368226
Free energy at 298.15 K (Hartree): -368.412347
Heat capacity at 298.15 K (cal/mol K): 39.308
Atomization energy at 0 K (kcal/mol): -2206.8794995011
Atomization energy at 298.15 K (kcal/mol): -2222.0281942701
Atomization enthalpy at 298.15 K (kcal/mol): -2235.662082313
Atomization free energy at 298.15 K (kcal/mol): -2045.0574785811