Geometry & MOs

Info

ID:	159188
PubChem CID:	57264347
Reduced:	N5C11H15 (1)
Stoich.:	A5B11C15 (1)
Weight, g/mol:	458.232278
ΔH_f, kcal/mol:	88.02
Dipole, Da:	9.16
IP(EA), eV:	-10.3(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[12-(6-chloro-7H-purin-9-ium-9-yl)dodecoxy]benzamide

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=N1)CN2C=NN=N2

DOS

IR

Vibrations