Geometry & MOs

Info

ID:	411602
PubChem CID:	135084434
Reduced:	OC11H18 (1)
Stoich.:	AB11C18 (1)
Weight, g/mol:	327.99603
ΔH_f, kcal/mol:	-32.32
Dipole, Da:	2.5
IP(EA), eV:	-9.52(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hex-5-ynyl 2-iodobenzoate

Drug info:

PubChemData

Smile

CCC#CCC/C=C(\C)/CCO

DOS

IR

Vibrations