Geometry & MOs

Info

ID:	395136
PubChem CID:	135024726
Reduced:	SO3C20H20 (1)
Stoich.:	AB3C20D20 (1)
Weight, g/mol:	214.120509
ΔH_f, kcal/mol:	-70.23
Dipole, Da:	2.14
IP(EA), eV:	-8.5(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dihydroperoxymethyl)adamantane

Drug info:

PubChemData

Smile

COC(=O)CCC(=O)C1=CC=CC=C1/C=C(/C2=CC=CC=C2)\SC

DOS

IR

Vibrations