Geometry & MOs

Info

ID:	24428
PubChem CID:	610223
Reduced:	OC21H24 (1)
Stoich.:	AB21C24 (1)
Weight, g/mol:	292.182715
ΔH_f, kcal/mol:	22.96
Dipole, Da:	1.66
IP(EA), eV:	-8.39(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxy-4-[2-(4-pentylphenyl)ethynyl]benzene

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)OCC

DOS

IR

Vibrations