Geometry & MOs

Info

ID:	51963
PubChem CID:	12014734
Reduced:	BrSN2H17C22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	299.01839
ΔH_f, kcal/mol:	129.85
Dipole, Da:	4.12
IP(EA), eV:	-8.14(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(4-bromophenyl)quinolin-1-ium-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations