Geometry & MOs

Info

ID:

308715

PubChem CID:

126522411

Reduced:

FN7H14C23 (1)

Stoich.:

AB7C14D23 (1)

Weight, g/mol:

493.16848

ΔHf, kcal/mol:

182.45

Dipole, Da:

6.66

IP(EA), eV:

 -8.88(-2.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-N-[5-[(3E)-3-(4-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations