Geometry & MOs

Info

ID:	427265
PubChem CID:	135156533
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	534.089328
ΔH_f, kcal/mol:	-71.86
Dipole, Da:	7.69
IP(EA), eV:	-8.4(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-[4-(2-chlorophenyl)piperazin-1-yl]purine

Drug info:

PubChemData

Smile

CC(C)(CC1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N)O

DOS

IR

Vibrations