Geometry & MOs

Info

ID:

449371

PubChem CID:

135298051

Reduced:

ON8H28C30 (1)

Stoich.:

AB8C28D30 (1)

Weight, g/mol:

528.238608

ΔHf, kcal/mol:

150.44

Dipole, Da:

10.42

IP(EA), eV:

 -8.55(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[7-(3-methylphenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CN=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)CC(C)(C)C)NN4)/N=C23

DOS

IR

Vibrations