Geometry & MOs

Info

ID:

444146

PubChem CID:

135261466

Reduced:

ON3H7C11 (2)

Stoich.:

AB3C7D11 (2)

Weight, g/mol:

549.228851

ΔHf, kcal/mol:

140.43

Dipole, Da:

6.89

IP(EA), eV:

 -8.6(-2.18)

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-[5-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

C1=CN=C(C2=C/C(=C/3\C4=CC(=NC=C4NN3)C5=CC(=CN=C5)O)/N=C21)C6=COC=C6

DOS

IR

Vibrations