Geometry & MOs

Info

ID:	302613
PubChem CID:	124385297
Reduced:	O5C20H32 (1)
Stoich.:	A5B20C32 (1)
Weight, g/mol:	352.224974
ΔH_f, kcal/mol:	-228.16
Dipole, Da:	4.63
IP(EA), eV:	-9.44(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations