Geometry & MOs

Info

ID:	405833
PubChem CID:	135075594
Reduced:	ClNOC14H14 (1)
Stoich.:	ABCD14E14 (1)
Weight, g/mol:	268.97015
ΔH_f, kcal/mol:	20.74
Dipole, Da:	1.35
IP(EA), eV:	-9.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-iodoprop-1-enyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)C#CCCCCCl

DOS

IR

Vibrations