Geometry & MOs

Info

ID:	336676
PubChem CID:	127255683
Reduced:	ClIOH6C9 (1)
Stoich.:	ABCD6E9 (1)
Weight, g/mol:	291.91519
ΔH_f, kcal/mol:	-5.77
Dipole, Da:	3.44
IP(EA), eV:	-9.62(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)C2=CC(=C(C=C21)Cl)I

DOS

IR

Vibrations