Geometry & MOs

Info

ID:	336731
PubChem CID:	127255738
Reduced:	IO2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	287.96473
ΔH_f, kcal/mol:	-39.57
Dipole, Da:	3.5
IP(EA), eV:	-9.15(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-7-methoxy-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(CCC2=O)C(=C1)I

DOS

IR

Vibrations