Geometry & MOs

Info

ID:

309037

PubChem CID:

126535206

Reduced:

N9H17C22 (1)

Stoich.:

A9B17C22 (1)

Weight, g/mol:

495.249507

ΔHf, kcal/mol:

237.47

Dipole, Da:

12.17

IP(EA), eV:

 -8.57(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-N-[5-[(3Z)-3-(7-piperidin-1-ylimidazo[4,5-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C(=CC=NC5=N4)C6=CN=CC=C6

DOS

IR

Vibrations