Geometry & MOs

Info

ID:	1060
PubChem CID:	3735
Reduced:	NO2I3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	570.8002
ΔH_f, kcal/mol:	-35.81
Dipole, Da:	6.54
IP(EA), eV:	-9.09(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid

Drug info:

PubChemData

Smile

CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O

DOS

IR

Vibrations