Geometry & MOs

Info

ID:

443895

PubChem CID:

135260315

Reduced:

ON7H21C23 (1)

Stoich.:

AB7C21D23 (1)

Weight, g/mol:

453.171336

ΔHf, kcal/mol:

141.4

Dipole, Da:

7.33

IP(EA), eV:

 -8.35(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)O)NN4)/C=C32

DOS

IR

Vibrations