Molecule SMILES: CC1N(C)C1(C)C
Rotational constants A, B, C (GHz): 3.15608, 2.26253, 2.0059
Dipole moment mu (Debye): 1.2476
Isotropic polarizability alpha (Bohr^3): 71.72
HOMO energy (Hartree): -0.2097
LUMO energy (Hartree): 0.082
HOMO-LUMO gap (Hartree): 0.2917
Electronic spatial extent r2 (Bohr^2): 819.6085
Zero-point vibrational energy (Hartree): 0.180715
Internal energy at 0 K (Hartree): -291.021574
Internal energy at 298.15 K (Hartree): -291.012519
Enthalpy at 298.15 K (Hartree): -291.011574
Free energy at 298.15 K (Hartree): -291.054234
Heat capacity at 298.15 K (cal/mol K): 32.877
Atomization energy at 0 K (kcal/mol): -1790.617011788
Atomization energy at 298.15 K (kcal/mol): -1802.709737727
Atomization enthalpy at 298.15 K (kcal/mol): -1813.972269259
Atomization free energy at 298.15 K (kcal/mol): -1660.002268456