Geometry & MOs

Info

ID:	391699
PubChem CID:	135008451
Reduced:	NSO2H19C20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	284.156501
ΔH_f, kcal/mol:	-30.98
Dipole, Da:	3.66
IP(EA), eV:	-8.26(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-phenylethynyl)oct-3-en-1-ynylbenzene

Drug info:

PubChemData

Smile

CC1=C(NC(=C1SC2=CC=CC=C2)C)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations