Geometry & MOs

Info

ID:	302615
PubChem CID:	124385302
Reduced:	OC5H8 (3)
Stoich.:	AB5C8 (3)
Weight, g/mol:	322.250795
ΔH_f, kcal/mol:	-125.62
Dipole, Da:	4.76
IP(EA), eV:	-9.48(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,15S)-15-hydroxyicos-11-en-13-ynoic acid

Drug info:

PubChemData

Smile

CCCCC[C@@H](/C=C/C#CCCCCC(=O)O)O

DOS

IR

Vibrations