Geometry & MOs

Info

ID:	386540
PubChem CID:	134982079
Reduced:	ClO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	238.09938
ΔH_f, kcal/mol:	-74.9
Dipole, Da:	4.19
IP(EA), eV:	-8.6(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-7-(3-methylphenyl)-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=O)CC(C2=C1)C3=CC(=CC=C3)Cl)OC

DOS

IR

Vibrations