Geometry & MOs

Info

ID:

448058

PubChem CID:

135288060

Reduced:

N9H13C21 (1)

Stoich.:

A9B13C21 (1)

Weight, g/mol:

490.186572

ΔHf, kcal/mol:

255.51

Dipole, Da:

7.3

IP(EA), eV:

 -8.77(-2.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3Z)-3-[4-(1,3-benzodioxol-5-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CN=CN=C6)NN4)/N=C32

DOS

IR

Vibrations