Geometry & MOs

Info

ID:

437214

PubChem CID:

135216047

Reduced:

OH32C47 (1)

Stoich.:

AB32C47 (1)

Weight, g/mol:

492.23975

ΔHf, kcal/mol:

165.78

Dipole, Da:

1.46

IP(EA), eV:

 -8.27(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[[4-[4-[[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carbaldehyde

Drug info:

PubChemData

Smile

C/C=C\C1=C(C2=C(C=C1)C3=C(O2)C=C(C=C3)C4=CC(=CC=C4)C5=C6C=CC=CC6=C(C7=CC=CC=C75)C8=CC=CC9=CC=CC=C98)C=C

DOS

IR

Vibrations