Geometry & MOs

Info

ID:

309062

PubChem CID:

126535788

Reduced:

FON9H30C34 (1)

Stoich.:

ABC9D30E34 (1)

Weight, g/mol:

511.159058

ΔHf, kcal/mol:

174.39

Dipole, Da:

12.55

IP(EA), eV:

 -8.23(-2.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[5-(5-cyclohexyloxypyridin-3-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]-7-(5-fluorothiophen-2-yl)imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)OCC7=CC=CC=C7)NN4)/N=C23)F

DOS

IR

Vibrations