Geometry & MOs

Info

ID:

311758

PubChem CID:

126597644

Reduced:

F2O4N7C25H29 (1)

Stoich.:

A2B4C7D25E29 (1)

Weight, g/mol:

476.228437

ΔHf, kcal/mol:

-163.43

Dipole, Da:

3.66

IP(EA), eV:

 -8.41(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=C(C=C4)OC(F)F)CC5CN(CCO5)C

DOS

IR

Vibrations