Geometry & MOs

Info

ID:	336753
PubChem CID:	127255760
Reduced:	IOH9C10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	271.96981
ΔH_f, kcal/mol:	-12.88
Dipole, Da:	1.6
IP(EA), eV:	-9.42(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-6-methyl-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)I)CCC2=O

DOS

IR

Vibrations