Geometry & MOs

Info

ID:	2028
PubChem CID:	5618
Reduced:	O4C21H34 (1)
Stoich.:	A4B21C34 (1)
Weight, g/mol:	350.24571
ΔH_f, kcal/mol:	-194.22
Dipole, Da:	5.45
IP(EA), eV:	-9.45(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[6-(3-hydroxyoct-1-enyl)-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)CO2)O

DOS

IR

Vibrations