Geometry & MOs

Info

ID:	151591
PubChem CID:	55161562
Reduced:	ClSN6C11H11 (1)
Stoich.:	ABC6D11E11 (1)
Weight, g/mol:	248.138559
ΔH_f, kcal/mol:	109.75
Dipole, Da:	3.96
IP(EA), eV:	-8.55(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN1C=CN=C1SCC2=NC3=C(C=NN3C)C(=N2)Cl

DOS

IR

Vibrations