Geometry & MOs

Info

ID:

308744

PubChem CID:

126522440

Reduced:

FN9H20C26 (1)

Stoich.:

AB9C20D26 (1)

Weight, g/mol:

502.222957

ΔHf, kcal/mol:

200.11

Dipole, Da:

6.33

IP(EA), eV:

 -8.75(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1C2=NC(=CN=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CC=NC6=N5)C7=CC(=CC=C7)F)/NN4)N

DOS

IR

Vibrations