Geometry & MOs

Info

ID:

311763

PubChem CID:

126597651

Reduced:

FO3N8H17C22 (1)

Stoich.:

AB3C8D17E22 (1)

Weight, g/mol:

532.173814

ΔHf, kcal/mol:

20.26

Dipole, Da:

3.12

IP(EA), eV:

 -8.68(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=CO1)CC#N)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4C=CC(=C5)F)C

DOS

IR

Vibrations