Geometry & MOs

Info

ID:	83650
PubChem CID:	49859621
Reduced:	OC6H9 (3)
Stoich.:	AB6C9 (3)
Weight, g/mol:	292.203845
ΔH_f, kcal/mol:	-44.63
Dipole, Da:	5.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.775087
Charge, e:	0

Chem-info

IUPAC name:

8-[(3E)-3-[(2Z,5Z)-octa-2,5-dienylidene]oxiran-2-yl]octanoic acid

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C=C\1/C(O1)CCCCCCCC(=O)[O-]

DOS

IR

Vibrations