Geometry & MOs

Info

ID:

436488

PubChem CID:

135204210

Reduced:

FO3N7H26C29 (1)

Stoich.:

AB3C7D26E29 (1)

Weight, g/mol:

464.244836

ΔHf, kcal/mol:

-14.07

Dipole, Da:

5.03

IP(EA), eV:

 -8.7(-0.88)

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-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)C(=O)NCC3=C(C=C(C=C3)C4=C5C(=NC=C4)NN=C5NC6CCN(C6)C(=O)C=C)F

DOS

IR

Vibrations