Geometry & MOs

Info

ID:

449500

PubChem CID:

135299101

Reduced:

ON7H23C31 (1)

Stoich.:

AB7C23D31 (1)

Weight, g/mol:

502.222957

ΔHf, kcal/mol:

208.87

Dipole, Da:

6.33

IP(EA), eV:

 -8.7(-2.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-4-(3-methylphenyl)-2-[5-(5-piperidin-4-yloxypyridin-3-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)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