Geometry & MOs

Info

ID:	357205
PubChem CID:	127293709
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	329.196408
ΔH_f, kcal/mol:	-34.63
Dipole, Da:	3.29
IP(EA), eV:	-8.29(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)NC2=CC3=C(C=C2)OCC3)CC4=CC=NC=C4

DOS

IR

Vibrations