Geometry & MOs

Info

ID:	50092
PubChem CID:	12012595
Reduced:	OH16C23 (1)
Stoich.:	AB16C23 (1)
Weight, g/mol:	356.02006
ΔH_f, kcal/mol:	134.33
Dipole, Da:	2.21
IP(EA), eV:	-8.52(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[2-[3-(2-phenylethynyl)phenyl]ethynyl]benzene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#CC2=CC=CC(=C2)C#CC3=CC=CC=C3

DOS

IR

Vibrations