Geometry & MOs

Info

ID:	336774
PubChem CID:	127255781
Reduced:	BrIO2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	353.87524
ΔH_f, kcal/mol:	-53.22
Dipole, Da:	3.05
IP(EA), eV:	-9.82(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-iodophenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1Br)I)CCC(=O)O

DOS

IR

Vibrations