Molecule SMILES: CC1CC2(C1)CN1CC21
Rotational constants A, B, C (GHz): 4.54377, 0.99908, 0.96498
Dipole moment mu (Debye): 1.7519
Isotropic polarizability alpha (Bohr^3): 86.08
HOMO energy (Hartree): -0.2265
LUMO energy (Hartree): 0.0775
HOMO-LUMO gap (Hartree): 0.304
Electronic spatial extent r2 (Bohr^2): 1334.7258
Zero-point vibrational energy (Hartree): 0.194884
Internal energy at 0 K (Hartree): -367.158297
Internal energy at 298.15 K (Hartree): -367.14992
Enthalpy at 298.15 K (Hartree): -367.148976
Free energy at 298.15 K (Hartree): -367.191249
Heat capacity at 298.15 K (cal/mol K): 33.288
Atomization energy at 0 K (kcal/mol): -2068.7158228991
Atomization energy at 298.15 K (kcal/mol): -2083.0123604461
Atomization enthalpy at 298.15 K (kcal/mol): -2095.460256479
Atomization free energy at 298.15 K (kcal/mol): -1920.0300753851