Geometry & MOs

Info

ID:

308870

PubChem CID:

126531703

Reduced:

ON10H28C29 (1)

Stoich.:

AB10C28D29 (1)

Weight, g/mol:

518.181487

ΔHf, kcal/mol:

174.41

Dipole, Da:

9.64

IP(EA), eV:

 -8.63(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[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]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)CC7CCNCC7)NN4)/C=C32

DOS

IR

Vibrations