Geometry & MOs

Info

ID:	46743
PubChem CID:	10526872
Reduced:	N3O5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	353.95326
ΔH_f, kcal/mol:	-120.1
Dipole, Da:	8.27
IP(EA), eV:	-9.43(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-bromo-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylic acid

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)/C(=O)N(CCC(=O)O)CC=C

DOS

IR

Vibrations