Geometry & MOs

Info

ID:	1871
PubChem CID:	5241
Reduced:	N2O2I3C12H13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	597.8111
ΔH_f, kcal/mol:	0.59
Dipole, Da:	9.38
IP(EA), eV:	-9.05(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl]propanoic acid

Drug info:

PubChemData

Smile

CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)O)I)I

DOS

IR

Vibrations