Geometry & MOs

Info

ID:	321695
PubChem CID:	126666809
Reduced:	ON3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	417.131615
ΔH_f, kcal/mol:	53.26
Dipole, Da:	2.29
IP(EA), eV:	-9.24(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=CN(N=N1)CC2=NC3=C(N2C4CCOCC4)C5=CC=CC=C5N=C3

DOS

IR

Vibrations