Geometry & MOs

Info

ID:

321214

PubChem CID:

126665381

Reduced:

FO4N6C20H23 (1)

Stoich.:

AB4C6D20E23 (1)

Weight, g/mol:

431.188129

ΔHf, kcal/mol:

-120.16

Dipole, Da:

10.06

IP(EA), eV:

 -8.97(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-[[(3R,4R)-1-ethyl-4-hydroxypyrrolidin-3-yl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations