Geometry & MOs

Info

ID:	54735
PubChem CID:	17389175
Reduced:	ION2S2C23H25 (1)
Stoich.:	ABC2D2E23F25 (1)
Weight, g/mol:	434.8292
ΔH_f, kcal/mol:	45.43
Dipole, Da:	20.95
IP(EA), eV:	-6.7(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-2-(3-bromopyridin-1-ium-1-yl)ethanone;bromide

Drug info:

PubChemData

Smile

CCN\1C2=C(C=CC(=C2)OC)S/C1=C\C(=C\C3=[N+](C4=CC=CC=C4S3)CC)\C.[I-]

DOS

IR

Vibrations