Geometry & MOs

Info

ID:

436489

PubChem CID:

135204297

Reduced:

FON8C24H29 (1)

Stoich.:

ABC8D24E29 (1)

Weight, g/mol:

464.244836

ΔHf, kcal/mol:

45.49

Dipole, Da:

5.09

IP(EA), eV:

 -8.57(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]-3-fluorophenyl]-N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CNCC2=C(C=C(C=C2)C3=C4C(=NC=C3)NN=C4NC5CCNC5)F

DOS

IR

Vibrations