Geometry & MOs

Info

ID:

448144

PubChem CID:

135288770

Reduced:

ON9H21C28 (1)

Stoich.:

AB9C21D28 (1)

Weight, g/mol:

530.265491

ΔHf, kcal/mol:

228.66

Dipole, Da:

5.28

IP(EA), eV:

 -8.67(-2.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3Z)-3-[4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]methyl]-1-phenylmethanamine

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)OCC7=CC=CC=C7)NN4)/N=C32

DOS

IR

Vibrations