Geometry & MOs

Info

ID:

427752

PubChem CID:

135161988

Reduced:

F3O4N6C25H27 (1)

Stoich.:

A3B4C6D25E27 (1)

Weight, g/mol:

517.189609

ΔHf, kcal/mol:

-257.0

Dipole, Da:

3.04

IP(EA), eV:

 -9.13(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(5-methylpyridin-2-yl)-4-[3-(4-methylsulfonylanilino)-4-oxo-2H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-4-yl]acetonitrile

Drug info:

PubChemData

Smile

COC(=O)N1CCC(CC1)(CC#N)NC\2=CC=NC(=O)/C2=C(/N)\NC3=CC4=C(C=C3)C(CC4)(C(F)(F)F)O

DOS

IR

Vibrations