Geometry & MOs

Info

ID:	336736
PubChem CID:	127255743
Reduced:	ClO2H7C9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	273.94908
ΔH_f, kcal/mol:	-70.67
Dipole, Da:	2.78
IP(EA), eV:	-9.74(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C=C(C=C2O)Cl

DOS

IR

Vibrations