Geometry & MOs

Info

ID:

449198

PubChem CID:

135296756

Reduced:

FN7H16C23 (1)

Stoich.:

AB7C16D23 (1)

Weight, g/mol:

533.233937

ΔHf, kcal/mol:

163.1

Dipole, Da:

5.37

IP(EA), eV:

 -8.67(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-(3-fluoro-5-methylphenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-5-[5-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=CN=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CNN=C6)/C=C23

DOS

IR

Vibrations