Geometry & MOs

Info

ID:

179891

PubChem CID:

76550466

Reduced:

F3O3N8H21C23 (1)

Stoich.:

A3B3C8D21E23 (1)

Weight, g/mol:

548.129899

ΔHf, kcal/mol:

-104.09

Dipole, Da:

4.29

IP(EA), eV:

 -9.33(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[5-chloro-3-(trifluoromethyl)pyridin-2-yl]pyrazolo[3,4-d]pyrimidin-4-yl]oxy-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)NC(=O)C(COC2CCC2)OC3=NC=NC4=C3C=NN4C5=C(C=CC=N5)C(F)(F)F

DOS

IR

Vibrations