Geometry & MOs

Info

ID:	232335
PubChem CID:	87576004
Reduced:	SO4C70H138 (1)
Stoich.:	AB4C70D138 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-499.64
Dipole, Da:	1.68
IP(EA), eV:	-8.5(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bicyclo[3.2.1]octane-3-carboperoxoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(CSCCC(=O)OCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCC

DOS

IR

Vibrations