Geometry & MOs

Info

ID:

321811

PubChem CID:

126667008

Reduced:

F2O3N6C19H20 (1)

Stoich.:

A2B3C6D19E20 (1)

Weight, g/mol:

422.187795

ΔHf, kcal/mol:

-105.35

Dipole, Da:

7.52

IP(EA), eV:

 -9.28(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-(2,5-difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyethyl]-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-3a,4-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C=C(C=C(C1F)CNC(=O)C2=C3C(=NN2)N=CN=C3N[C@@H]4[C@H]5C[C@H]5[C@H]([C@H]4O)O)F

DOS

IR

Vibrations