Geometry & MOs

Info

ID:

446065

PubChem CID:

135272111

Reduced:

FON6H19C26 (1)

Stoich.:

ABC6D19E26 (1)

Weight, g/mol:

519.218287

ΔHf, kcal/mol:

119.14

Dipole, Da:

8.42

IP(EA), eV:

 -8.48(-1.98)

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[4,3-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)OC)NN4)/C=C32

DOS

IR

Vibrations