Geometry & MOs

Info

ID:

325501

PubChem CID:

126683665

Reduced:

FO3N8C26H33 (1)

Stoich.:

AB3C8D26E33 (1)

Weight, g/mol:

473.228771

ΔHf, kcal/mol:

-48.38

Dipole, Da:

2.23

IP(EA), eV:

 -9.35(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-but-1-en-2-yl-4-[(1-cyanocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)CCNC(=O)C2=CC(=NC(=N2)OC[C@H]3C[C@H]3C#N)N4CC[C@@H]([C@H](C4)F)COC5=CN=CN=C5N

DOS

IR

Vibrations