Geometry & MOs

Info

ID:

447995

PubChem CID:

135287422

Reduced:

ON7H17C24 (1)

Stoich.:

AB7C17D24 (1)

Weight, g/mol:

512.218541

ΔHf, kcal/mol:

185.54

Dipole, Da:

5.57

IP(EA), eV:

 -8.94(-2.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3Z)-3-[7-(4-methylimidazol-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

COC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C/4\C=C5C(=CN=CC5=N4)C6=CN=CC=C6)N=C2

DOS

IR

Vibrations