Molecule SMILES: CC(C)C1(CC1)N2CC2
Rotational constants A, B, C (GHz): 2.52479, 1.35477, 1.05089
Dipole moment mu (Debye): 0.8522
Isotropic polarizability alpha (Bohr^3): 88.76
HOMO energy (Hartree): -0.2193
LUMO energy (Hartree): 0.0852
HOMO-LUMO gap (Hartree): 0.3045
Electronic spatial extent r2 (Bohr^2): 1273.7723
Zero-point vibrational energy (Hartree): 0.216305
Internal energy at 0 K (Hartree): -368.366851
Internal energy at 298.15 K (Hartree): -368.357058
Enthalpy at 298.15 K (Hartree): -368.356114
Free energy at 298.15 K (Hartree): -368.401191
Heat capacity at 298.15 K (cal/mol K): 38.275
Atomization energy at 0 K (kcal/mol): -2199.2427149711
Atomization energy at 298.15 K (kcal/mol): -2214.4278052621
Atomization enthalpy at 298.15 K (kcal/mol): -2228.061693305
Atomization free energy at 298.15 K (kcal/mol): -2038.0569881771