Geometry & MOs

Info

ID:

308743

PubChem CID:

126522439

Reduced:

ON7H15C23 (1)

Stoich.:

AB7C15D23 (1)

Weight, g/mol:

477.18257

ΔHf, kcal/mol:

187.29

Dipole, Da:

6.55

IP(EA), eV:

 -8.88(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[(3E)-3-[4-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

Drug info:

PubChemData

Smile

C1=CN=CC=C1C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)O)/C=C23

DOS

IR

Vibrations