Geometry & MOs

Info

ID:	51967
PubChem CID:	12014738
Reduced:	BrISN2H20C23 (1)
Stoich.:	ABCD2E20F23 (1)
Weight, g/mol:	435.05306
ΔH_f, kcal/mol:	135.73
Dipole, Da:	9.67
IP(EA), eV:	-6.98(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(4-bromophenyl)-N-methyl-2-(4-methylphenyl)sulfanylquinolin-1-ium-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3C=C2)N(C)C4=CC=C(C=C4)Br.[I-]

DOS

IR

Vibrations