Geometry & MOs

Info

ID:	321212
PubChem CID:	126665340
Reduced:	ClON8C19H25 (1)
Stoich.:	ABC8D19E25 (1)
Weight, g/mol:	431.17173
ΔH_f, kcal/mol:	40.32
Dipole, Da:	7.31
IP(EA), eV:	-8.09(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=C(C(=N2)NC3CC4CN(CC4C3)C(=O)NC5CC5)Cl

DOS

IR

Vibrations