Geometry & MOs

Info

ID:

321213

PubChem CID:

126665380

Reduced:

FO4N7C19H22 (1)

Stoich.:

AB4C7D19E22 (1)

Weight, g/mol:

430.176481

ΔHf, kcal/mol:

-109.3

Dipole, Da:

8.83

IP(EA), eV:

 -8.97(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=C(N=CC(=C1)F)OC)C(=O)C2=C3C(=NN2)N=CN=C3N[C@@H]4CC[C@H]([C@H]4O)O

DOS

IR

Vibrations