Geometry & MOs

Info

ID:	79911
PubChem CID:	49831288
Reduced:	O7H20C24 (1)
Stoich.:	A7B20C24 (1)
Weight, g/mol:	317.97529
ΔH_f, kcal/mol:	-218.14
Dipole, Da:	2.34
IP(EA), eV:	-8.87(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)O)O)C2=C3C(=C(C(=C2O)OC)O)C(=O)C=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations