Geometry & MOs

Info

ID:	25262
PubChem CID:	621699
Reduced:	BrPC21H21 (1)
Stoich.:	ABC21D21 (1)
Weight, g/mol:	261.99522
ΔH_f, kcal/mol:	72.0
Dipole, Da:	8.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.945310
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(4-chlorophenyl)-1-benzofuran

Drug info:

PubChemData

Smile

C=CCP(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.Br

DOS

IR

Vibrations