Geometry & MOs

Info

ID:

228320

PubChem CID:

87563924

Reduced:

OCl3F3N6C23H28 (1)

Stoich.:

AB3C3D6E23F28 (1)

Weight, g/mol:

566.134227

ΔHf, kcal/mol:

-208.56

Dipole, Da:

5.8

IP(EA), eV:

 -9.38(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride

Drug info:

PubChemData

Smile

CC(C)NC[C@H](C1=CC=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=C4C=NNC4=NC=C3C(F)(F)F.Cl.Cl

DOS

IR

Vibrations