Geometry & MOs

Info

ID:	261178
PubChem CID:	103221386
Reduced:	ClNOI4H6C13 (1)
Stoich.:	ABCD4E6F13 (1)
Weight, g/mol:	400.97919
ΔH_f, kcal/mol:	79.15
Dipole, Da:	3.43
IP(EA), eV:	-9.52(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-(dimethylamino)pyridin-3-yl]-4-iodobenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=C(C=C(C=C2I)I)I)Cl)I

DOS

IR

Vibrations