Geometry & MOs

Info

ID:

444139

PubChem CID:

135261454

Reduced:

FO2N8C35H35 (1)

Stoich.:

AB2C8D35E35 (1)

Weight, g/mol:

436.144787

ΔHf, kcal/mol:

56.47

Dipole, Da:

1.75

IP(EA), eV:

 -8.67(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)OCCN7CCCC7)/NN3

DOS

IR

Vibrations