Geometry & MOs

Info

ID:	395818
PubChem CID:	135026643
Reduced:	PO3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	408.82274
ΔH_f, kcal/mol:	-153.74
Dipole, Da:	3.48
IP(EA), eV:	-9.46(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2,4-diiodo-3-methoxyaniline

Drug info:

PubChemData

Smile

CCCCOP(=O)(C=C(C1=CC=CC=C1)C2=CC=CC=C2)OCCCC

DOS

IR

Vibrations