Geometry & MOs

Info

ID:	427259
PubChem CID:	135156512
Reduced:	ClN2O2H9C14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	501.123549
ΔH_f, kcal/mol:	-7.06
Dipole, Da:	6.14
IP(EA), eV:	-9.75(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=N2)C(=C1)N3C=CC(=C3Cl)C(=O)O

DOS

IR

Vibrations