Geometry & MOs

Info

ID:

311762

PubChem CID:

126597650

Reduced:

FO2N4C13H15 (2)

Stoich.:

AB2C4D13E15 (2)

Weight, g/mol:

460.140765

ΔHf, kcal/mol:

-161.5

Dipole, Da:

3.23

IP(EA), eV:

 -8.58(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(1R)-1-[4-(cyanomethyl)-1,3-oxazol-2-yl]ethyl]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)CC(=O)N5CCN(CC5)C

DOS

IR

Vibrations