Geometry & MOs

Info

ID:	403096
PubChem CID:	135058721
Reduced:	BrClOH6C8 (1)
Stoich.:	ABCD6E8 (1)
Weight, g/mol:	308.104859
ΔH_f, kcal/mol:	-11.0
Dipole, Da:	1.08
IP(EA), eV:	-9.41(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-benzoyl-6-methyl-1-benzofuran-3-yl)acetate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)/C(=C/Br)/Cl

DOS

IR

Vibrations