Geometry & MOs

Info

ID:	427229
PubChem CID:	135156279
Reduced:	FOCl2N7H24C29 (1)
Stoich.:	ABC2D7E24F29 (1)
Weight, g/mol:	508.154515
ΔH_f, kcal/mol:	34.37
Dipole, Da:	3.27
IP(EA), eV:	-8.82(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)NC2=CC=CC=C2F)C3=NC=NC4=C3N=C(N4C5=CC=C(C=C5)Cl)C6=CC=CC=C6Cl

DOS

IR

Vibrations