Geometry & MOs

Info

ID:	374560
PubChem CID:	131331542
Reduced:	FINH3O3C7 (1)
Stoich.:	ABCD3E3F7 (1)
Weight, g/mol:	308.92982
ΔH_f, kcal/mol:	-30.44
Dipole, Da:	3.23
IP(EA), eV:	-10.52(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-fluoro-2-iodo-3-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)C=O)I)[N+](=O)[O-]

DOS

IR

Vibrations