Geometry & MOs

Info

ID:	336760
PubChem CID:	127255767
Reduced:	I2O2H8C9 (1)
Stoich.:	A2B2C8D9 (1)
Weight, g/mol:	309.92575
ΔH_f, kcal/mol:	-37.7
Dipole, Da:	2.68
IP(EA), eV:	-9.53(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations