Molecule SMILES: CCCC1N(C)C1(C)C
Rotational constants A, B, C (GHz): 2.73093, 0.85772, 0.80847
Dipole moment mu (Debye): 1.2132
Isotropic polarizability alpha (Bohr^3): 94.12
HOMO energy (Hartree): -0.2096
LUMO energy (Hartree): 0.0786
HOMO-LUMO gap (Hartree): 0.2883
Electronic spatial extent r2 (Bohr^2): 1662.0855
Zero-point vibrational energy (Hartree): 0.237557
Internal energy at 0 K (Hartree): -369.597962
Internal energy at 298.15 K (Hartree): -369.586289
Enthalpy at 298.15 K (Hartree): -369.585345
Free energy at 298.15 K (Hartree): -369.634783
Heat capacity at 298.15 K (cal/mol K): 42.59
Atomization energy at 0 K (kcal/mol): -2343.924327556
Atomization energy at 298.15 K (kcal/mol): -2359.7068064151
Atomization enthalpy at 298.15 K (kcal/mol): -2374.526686468
Atomization free energy at 298.15 K (kcal/mol): -2170.9244888191