Geometry & MOs

Info

ID:	395737
PubChem CID:	135026404
Reduced:	BrH15C22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	274.09938
ΔH_f, kcal/mol:	139.29
Dipole, Da:	1.46
IP(EA), eV:	-8.85(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)-1-phenylprop-2-yn-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2=CC=CC=C2/C=C(/C3=CC=CC=C3)\Br

DOS

IR

Vibrations