Geometry & MOs

Info

ID:

136744

PubChem CID:

52093141

Reduced:

ON3C18H18 (1)

Stoich.:

AB3C18D18 (1)

Weight, g/mol:

315.090031

ΔHf, kcal/mol:

7.61

Dipole, Da:

6.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.183284

Charge, e:

 1

Chem-info

IUPAC name:

7-chloro-N-(2,4-dimethoxyphenyl)quinolin-1-ium-4-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C[NH+]=C2C(=C1)C)NC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations