Geometry & MOs

Info

ID:

449879

PubChem CID:

135302229

Reduced:

FN7H16C24 (1)

Stoich.:

AB7C16D24 (1)

Weight, g/mol:

519.218287

ΔHf, kcal/mol:

167.47

Dipole, Da:

4.04

IP(EA), eV:

 -8.7(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CN=CN=C6)/C=C32

DOS

IR

Vibrations