Geometry & MOs

Info

ID:	336776
PubChem CID:	127255783
Reduced:	IO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	289.98038
ΔH_f, kcal/mol:	-64.52
Dipole, Da:	3.68
IP(EA), eV:	-9.51(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-iodo-2-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1I)CCC(=O)O

DOS

IR

Vibrations