Geometry & MOs

Info

ID:	50093
PubChem CID:	12012596
Reduced:	BrH13C22 (1)
Stoich.:	AB13C22 (1)
Weight, g/mol:	356.02006
ΔH_f, kcal/mol:	177.46
Dipole, Da:	2.11
IP(EA), eV:	-8.96(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-[2-[3-(2-phenylethynyl)phenyl]ethynyl]benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2=CC(=CC=C2)C#CC3=CC=C(C=C3)Br

DOS

IR

Vibrations