Geometry & MOs

Info

ID:

447950

PubChem CID:

135287077

Reduced:

ON3H12C14 (2)

Stoich.:

AB3C12D14 (2)

Weight, g/mol:

475.223292

ΔHf, kcal/mol:

124.21

Dipole, Da:

5.87

IP(EA), eV:

 -8.85(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-[4-(4-methylimidazol-1-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-5-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CN=CC6=N5)C7=COC=C7)/NN4

DOS

IR

Vibrations