Geometry & MOs

Info

ID:	161667
PubChem CID:	57392285
Reduced:	NO2H21C24 (1)
Stoich.:	AB2C21D24 (1)
Weight, g/mol:	409.239022
ΔH_f, kcal/mol:	-12.54
Dipole, Da:	3.37
IP(EA), eV:	-8.71(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(4-aminocyclohexyl)-9-cyclopentyl-8-N-(2-fluorophenyl)purine-2,8-diamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C(CC(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations