Geometry & MOs

Info

ID:

444196

PubChem CID:

135261662

Reduced:

FO2N5H20C27 (1)

Stoich.:

AB2C5D20E27 (1)

Weight, g/mol:

452.105545

ΔHf, kcal/mol:

72.75

Dipole, Da:

5.48

IP(EA), eV:

 -8.45(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2Z)-2-[5-(5-hydroxypyridin-3-yl)-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)OC)/C=C32)F

DOS

IR

Vibrations