Geometry & MOs

Info

ID:	386913
PubChem CID:	134983347
Reduced:	BrClO3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	343.105587
ΔH_f, kcal/mol:	-68.21
Dipole, Da:	3.8
IP(EA), eV:	-8.67(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-3-(4-methoxy-3-nitrophenyl)-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations