Geometry & MOs

Info

ID:

308679

PubChem CID:

126522375

Reduced:

N4H7C11 (2)

Stoich.:

A4B7C11 (2)

Weight, g/mol:

511.223292

ΔHf, kcal/mol:

244.43

Dipole, Da:

5.07

IP(EA), eV:

 -8.8(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3E)-3-[4-(4-methylimidazol-1-yl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]methyl]-1-phenylmethanamine

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=NC=CN=C6)/C=C23

DOS

IR

Vibrations