Geometry & MOs

Info

ID:

308733

PubChem CID:

126522429

Reduced:

FN6H15C24 (1)

Stoich.:

AB6C15D24 (1)

Weight, g/mol:

451.121529

ΔHf, kcal/mol:

170.64

Dipole, Da:

6.29

IP(EA), eV:

 -8.79(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2E)-2-[5-(5-aminopyridin-3-yl)-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations