Geometry & MOs

Info

ID:	79912
PubChem CID:	49831294
Reduced:	IO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	443.87194
ΔH_f, kcal/mol:	-106.31
Dipole, Da:	3.74
IP(EA), eV:	-9.44(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-6,8-diiodo-2,2-dimethyl-3H-chromen-4-one

Drug info:

PubChemData

Smile

CC1(CC(=O)C2=C(O1)C(=C(C=C2)O)I)C

DOS

IR

Vibrations