Geometry & MOs

Info

ID:	336770
PubChem CID:	127255777
Reduced:	FIO2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	353.87524
ΔH_f, kcal/mol:	-101.98
Dipole, Da:	2.54
IP(EA), eV:	-9.72(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-3-iodophenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCC(=O)O)I)F

DOS

IR

Vibrations