Geometry & MOs

Info

ID:	321682
PubChem CID:	126666790
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	436.147073
ΔH_f, kcal/mol:	26.99
Dipole, Da:	3.43
IP(EA), eV:	-9.08(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](C[C@H](C1)O)N2C(=NC3=C2C4=CC=CC=C4N=C3)CC5=NOC=C5

DOS

IR

Vibrations