Geometry & MOs

Info

ID:

437217

PubChem CID:

135216050

Reduced:

FOPN5C20H25 (1)

Stoich.:

ABCD5E20F25 (1)

Weight, g/mol:

506.2554

ΔHf, kcal/mol:

-40.84

Dipole, Da:

2.22

IP(EA), eV:

 -8.31(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[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]azetidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CPN1C2=NC=CC(=C2C(=N1)NC3CCC(CC3)O)C4=CC(=C(C=C4)CN)F

DOS

IR

Vibrations