Geometry & MOs

Info

ID:	230116
PubChem CID:	87570245
Reduced:	O4C19H36 (1)
Stoich.:	A4B19C36 (1)
Weight, g/mol:	224.032088
ΔH_f, kcal/mol:	-253.45
Dipole, Da:	3.37
IP(EA), eV:	-10.53(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(carboxymethylperoxy)bicyclo[2.2.1]hepta-1,3,5-triene-7-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCC(CCCC)COC(=O)CCCCC(=O)OC

DOS

IR

Vibrations