Geometry & MOs

Info

ID:

311795

PubChem CID:

126597715

Reduced:

O3N7C24H29 (1)

Stoich.:

A3B7C24D29 (1)

Weight, g/mol:

566.134842

ΔHf, kcal/mol:

-18.67

Dipole, Da:

4.49

IP(EA), eV:

 -8.32(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(5,6-dichloro-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

CC(C)(CO)NC(=O)OC1=CNC2=NC=C(N=C12)N3C4=CC=CC=C4C(=N3)C5CCN(CC5)C

DOS

IR

Vibrations