Geometry & MOs

Info

ID:

447977

PubChem CID:

135287285

Reduced:

F2O3N5H25C28 (1)

Stoich.:

A2B3C5D25E28 (1)

Weight, g/mol:

508.269908

ΔHf, kcal/mol:

-61.47

Dipole, Da:

6.44

IP(EA), eV:

 -9.83(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-(4-piperidin-1-ylpyrrolo[2,3-c]pyridin-2-ylidene)-5-[5-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=COC(=N1)C2=CN=CC(=N2)[C@]34CC[C@H](C3(C)C)C5=CC(=NN=C45)C6=C(C=CC=C6F)F

DOS

IR

Vibrations