Geometry & MOs

Info

ID:	18431
PubChem CID:	540896
Reduced:	ClON6C13H13 (1)
Stoich.:	ABC6D13E13 (1)
Weight, g/mol:	304.083937
ΔH_f, kcal/mol:	36.56
Dipole, Da:	4.05
IP(EA), eV:	-8.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4,6-diamino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NN(C3=NC(=NC(=C23)N)N)CCO)Cl

DOS

IR

Vibrations