Geometry & MOs

Info

ID:	336757
PubChem CID:	127255764
Reduced:	I2O2H8C9 (1)
Stoich.:	A2B2C8D9 (1)
Weight, g/mol:	401.86137
ΔH_f, kcal/mol:	-39.38
Dipole, Da:	3.81
IP(EA), eV:	-9.67(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-diiodophenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1I)I)CCC(=O)O

DOS

IR

Vibrations