Geometry & MOs

Info

ID:	374079
PubChem CID:	131323475
Reduced:	INO2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	290.97563
ΔH_f, kcal/mol:	-39.78
Dipole, Da:	4.15
IP(EA), eV:	-8.44(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-6-iodo-2-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1I)N)OC

DOS

IR

Vibrations