Molecule SMILES: CCN(C)c1c[nH]nn1
Rotational constants A, B, C (GHz): 3.148, 1.21085, 0.96006
Dipole moment mu (Debye): 3.9735
Isotropic polarizability alpha (Bohr^3): 78.82
HOMO energy (Hartree): -0.1895
LUMO energy (Hartree): 0.0074
HOMO-LUMO gap (Hartree): 0.1969
Electronic spatial extent r2 (Bohr^2): 1255.3866
Zero-point vibrational energy (Hartree): 0.160051
Internal energy at 0 K (Hartree): -415.378062
Internal energy at 298.15 K (Hartree): -415.368887
Enthalpy at 298.15 K (Hartree): -415.367943
Free energy at 298.15 K (Hartree): -415.412569
Heat capacity at 298.15 K (cal/mol K): 33.092
Atomization energy at 0 K (kcal/mol): -1760.807824252
Atomization energy at 298.15 K (kcal/mol): -1771.936068858
Atomization enthalpy at 298.15 K (kcal/mol): -1782.604976876
Atomization free energy at 298.15 K (kcal/mol): -1632.2299751341