Geometry & MOs

Info

ID:	50090
PubChem CID:	12012593
Reduced:	OF3H15C24 (1)
Stoich.:	AB3C15D24 (1)
Weight, g/mol:	386.03063
ΔH_f, kcal/mol:	-28.35
Dipole, Da:	4.4
IP(EA), eV:	-8.57(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations