Geometry & MOs

Info

ID:	190086
PubChem CID:	77951679
Reduced:	O2C23H32 (1)
Stoich.:	A2B23C32 (1)
Weight, g/mol:	357.192666
ΔH_f, kcal/mol:	-24.6
Dipole, Da:	6.99
IP(EA), eV:	-7.49(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-(4-oxatricyclo[4.2.1.03,7]nonan-9-yl)-1,3-dipropylpurin-3-ium-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC2=CCC3C(C2(CC1)C)CCC4(C3C(CC4=O)CC(=O)C)C

DOS

IR

Vibrations