Geometry & MOs

Info

ID:

436492

PubChem CID:

135204391

Reduced:

FO4N7C26H28 (1)

Stoich.:

AB4C7D26E28 (1)

Weight, g/mol:

544.291037

ΔHf, kcal/mol:

-75.75

Dipole, Da:

6.93

IP(EA), eV:

 -9.15(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-tert-butyl-N-[1-[4-[3-[1-(dimethylcarbamoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]ethyl]-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)C(=O)NCC2=C(C=C(C=C2)C3=C4C(=NC=C3)NN=C4N5CCCC(C5)C(=O)O)F

DOS

IR

Vibrations