Geometry & MOs

Info

ID:	13439
PubChem CID:	232530
Reduced:	Cl2N4H6C11 (1)
Stoich.:	A2B4C6D11 (1)
Weight, g/mol:	263.996952
ΔH_f, kcal/mol:	90.69
Dipole, Da:	3.0
IP(EA), eV:	-9.53(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-9-(4-chlorophenyl)purine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C=NC3=C2N=CN=C3Cl)Cl

DOS

IR

Vibrations