Geometry & MOs

Info

ID:

228319

PubChem CID:

87563920

Reduced:

LiN2O4C23H31 (1)

Stoich.:

AB2C4D23E31 (1)

Weight, g/mol:

566.134227

ΔHf, kcal/mol:

-141.17

Dipole, Da:

7.22

IP(EA), eV:

 -8.7(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-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

[Li+].CCC[CH2-].COC1=NC=C(C=C1)C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)O

DOS

IR

Vibrations