Geometry & MOs

Info

ID:	336730
PubChem CID:	127255737
Reduced:	INOH8C9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	287.96473
ΔH_f, kcal/mol:	0.58
Dipole, Da:	4.15
IP(EA), eV:	-8.89(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-6-methoxy-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C(=C(C=C2)I)N

DOS

IR

Vibrations