Geometry & MOs

Info

ID:	302612
PubChem CID:	124385296
Reduced:	O3C20H32 (1)
Stoich.:	A3B20C32 (1)
Weight, g/mol:	352.224974
ΔH_f, kcal/mol:	-108.22
Dipole, Da:	3.11
IP(EA), eV:	-9.71(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,6S)-6-hydroxyicos-7-en-9-ynedioic acid

Drug info:

PubChemData

Smile

CCCCC[C@@H](C#CC#CCCCCCCCCCC(=O)O)O

DOS

IR

Vibrations