Geometry & MOs

Info

ID:	336775
PubChem CID:	127255782
Reduced:	BrIO2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	289.98038
ΔH_f, kcal/mol:	-51.3
Dipole, Da:	2.64
IP(EA), eV:	-9.67(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-iodo-2-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations