Geometry & MOs

Info

ID:	336750
PubChem CID:	127255757
Reduced:	NO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	271.96981
ΔH_f, kcal/mol:	-70.54
Dipole, Da:	3.28
IP(EA), eV:	-8.75(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C(=O)CC2)C(=C1)N

DOS

IR

Vibrations