Molecule SMILES: CN(C)Cc1c[nH]nn1
Rotational constants A, B, C (GHz): 4.38591, 0.8955, 0.87192
Dipole moment mu (Debye): 3.7908
Isotropic polarizability alpha (Bohr^3): 78.12
HOMO energy (Hartree): -0.2175
LUMO energy (Hartree): 0.001
HOMO-LUMO gap (Hartree): 0.2185
Electronic spatial extent r2 (Bohr^2): 1401.4685
Zero-point vibrational energy (Hartree): 0.160331
Internal energy at 0 K (Hartree): -415.371692
Internal energy at 298.15 K (Hartree): -415.362845
Enthalpy at 298.15 K (Hartree): -415.361901
Free energy at 298.15 K (Hartree): -415.406059
Heat capacity at 298.15 K (cal/mol K): 32.179
Atomization energy at 0 K (kcal/mol): -1756.810591922
Atomization energy at 298.15 K (kcal/mol): -1768.14465948
Atomization enthalpy at 298.15 K (kcal/mol): -1778.813567498
Atomization free energy at 298.15 K (kcal/mol): -1628.1448915441