Geometry & MOs

Info

ID:

444099

PubChem CID:

135261324

Reduced:

FN7H18C24 (1)

Stoich.:

AB7C18D24 (1)

Weight, g/mol:

516.238608

ΔHf, kcal/mol:

155.62

Dipole, Da:

9.96

IP(EA), eV:

 -8.6(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-5-(5-phenylmethoxypyridin-3-yl)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC=C6)F)/NN3

DOS

IR

Vibrations