Geometry & MOs

Info

ID:	391718
PubChem CID:	135008890
Reduced:	ClH17C21 (1)
Stoich.:	AB17C21 (1)
Weight, g/mol:	268.125201
ΔH_f, kcal/mol:	117.89
Dipole, Da:	2.02
IP(EA), eV:	-9.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-3-(2-phenylethynyl)hexa-3,5-dien-1-ynyl]benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC(=CCCCCl)C#CC2=CC=CC=C2

DOS

IR

Vibrations