Geometry & MOs

Info

ID:	303596
PubChem CID:	124489944
Reduced:	O2C10H15 (2)
Stoich.:	A2B10C15 (2)
Weight, g/mol:	368.219889
ΔH_f, kcal/mol:	-159.14
Dipole, Da:	7.92
IP(EA), eV:	-9.78(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(1R,4S,5S,6R)-6-[(E,3R)-3-hydroperoxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCC/C=C\CC(=O)/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O

DOS

IR

Vibrations