Geometry & MOs

Info

ID:	372141
PubChem CID:	131293725
Reduced:	ION2C7H9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	275.97596
ΔH_f, kcal/mol:	-1.59
Dipole, Da:	1.75
IP(EA), eV:	-8.2(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-diamino-6-iodophenyl)ethanone

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)N)I)N

DOS

IR

Vibrations