Geometry & MOs

Info

ID:	50091
PubChem CID:	12012594
Reduced:	BrOH15C23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	308.120115
ΔH_f, kcal/mol:	136.26
Dipole, Da:	1.58
IP(EA), eV:	-8.75(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations