Molecule SMILES: CCN(C)c1cn[nH]n1
Rotational constants A, B, C (GHz): 3.12757, 1.21441, 0.9685
Dipole moment mu (Debye): 1.5216
Isotropic polarizability alpha (Bohr^3): 78.28
HOMO energy (Hartree): -0.195
LUMO energy (Hartree): 0.0092
HOMO-LUMO gap (Hartree): 0.2042
Electronic spatial extent r2 (Bohr^2): 1250.6181
Zero-point vibrational energy (Hartree): 0.160759
Internal energy at 0 K (Hartree): -415.385128
Internal energy at 298.15 K (Hartree): -415.375982
Enthalpy at 298.15 K (Hartree): -415.375037
Free energy at 298.15 K (Hartree): -415.419581
Heat capacity at 298.15 K (cal/mol K): 32.872
Atomization energy at 0 K (kcal/mol): -1765.241802846
Atomization energy at 298.15 K (kcal/mol): -1776.3882452131
Atomization enthalpy at 298.15 K (kcal/mol): -1787.056525722
Atomization free energy at 298.15 K (kcal/mol): -1636.630068242