Geometry & MOs

Info

ID:	386951
PubChem CID:	134983481
Reduced:	OSC17H18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	332.081537
ΔH_f, kcal/mol:	0.76
Dipole, Da:	1.48
IP(EA), eV:	-8.09(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2CCC3=C2C(=CC=C3)SC

DOS

IR

Vibrations