Geometry & MOs

Info

ID:	392613
PubChem CID:	135017372
Reduced:	O2C11H11 (2)
Stoich.:	A2B11C11 (2)
Weight, g/mol:	320.104003
ΔH_f, kcal/mol:	-112.14
Dipole, Da:	2.91
IP(EA), eV:	-9.6(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-9-[(5R,7R)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]purine

Drug info:

PubChemData

Smile

C/C(=C(/C(=O)OC)\C(=C(\C1=CC=CC=C1)/C)\C(=O)OC)/C2=CC=CC=C2

DOS

IR

Vibrations