Geometry & MOs

Info

ID:	336778
PubChem CID:	127255785
Reduced:	IO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	289.98038
ΔH_f, kcal/mol:	-66.46
Dipole, Da:	3.39
IP(EA), eV:	-9.4(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CCC(=O)O)I

DOS

IR

Vibrations