Geometry & MOs

Info

ID:	1621
PubChem CID:	4783
Reduced:	IO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	384.05863
ΔH_f, kcal/mol:	-23.83
Dipole, Da:	1.31
IP(EA), eV:	-9.38(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 11-iodoundec-10-ynoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(=O)CCCCCCCCC#CI

DOS

IR

Vibrations