Geometry & MOs

Info

ID:

319291

PubChem CID:

126655543

Reduced:

FO5N6C29H31 (1)

Stoich.:

AB5C6D29E31 (1)

Weight, g/mol:

476.160831

ΔHf, kcal/mol:

-134.37

Dipole, Da:

4.3

IP(EA), eV:

 -8.62(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-(4-acetamidopyrazol-1-yl)-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1=O)C(=CC(=N2)C3=C(C=CC=C3F)C#N)N4C=CC(=N4)N5CC[C@H]([C@H](C5)OC)OC

DOS

IR

Vibrations