Geometry & MOs

Info

ID:	405538
PubChem CID:	135074327
Reduced:	IO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	304.0688
ΔH_f, kcal/mol:	-3.71
Dipole, Da:	2.77
IP(EA), eV:	-9.6(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodotridec-1-en-8-yne

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C#CCCCC(CC=C)I

DOS

IR

Vibrations