Geometry & MOs

Info

ID:	336777
PubChem CID:	127255784
Reduced:	IO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	289.98038
ΔH_f, kcal/mol:	-65.13
Dipole, Da:	2.54
IP(EA), eV:	-9.36(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-iodo-3-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations