Geometry & MOs

Info

ID:	336773
PubChem CID:	127255780
Reduced:	BrIO2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	353.87524
ΔH_f, kcal/mol:	-53.82
Dipole, Da:	4.24
IP(EA), eV:	-9.74(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-5-iodophenyl)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations