Geometry & MOs

Info

ID:

444155

PubChem CID:

135261510

Reduced:

FO2N6H23C32 (1)

Stoich.:

AB2C6D23E32 (1)

Weight, g/mol:

525.171336

ΔHf, kcal/mol:

115.07

Dipole, Da:

7.97

IP(EA), eV:

 -8.7(-2.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(4-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)OCC7=CC=CC=C7)/C=C32)F

DOS

IR

Vibrations