Geometry & MOs

Info

ID:

444140

PubChem CID:

135261455

Reduced:

FON6H17C25 (1)

Stoich.:

ABC6D17E25 (1)

Weight, g/mol:

533.233937

ΔHf, kcal/mol:

125.21

Dipole, Da:

6.27

IP(EA), eV:

 -8.53(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC=CC=N6)/C=C32)F

DOS

IR

Vibrations