Geometry & MOs

Info

ID:	302614
PubChem CID:	124385298
Reduced:	O5C20H32 (1)
Stoich.:	A5B20C32 (1)
Weight, g/mol:	252.172545
ΔH_f, kcal/mol:	-228.93
Dipole, Da:	4.72
IP(EA), eV:	-9.71(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,10S)-10-hydroxypentadec-8-en-6-ynoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations