Geometry & MOs

Info

ID:

448094

PubChem CID:

135288416

Reduced:

SN8H18C22 (1)

Stoich.:

AB8C18D22 (1)

Weight, g/mol:

453.171336

ΔHf, kcal/mol:

211.69

Dipole, Da:

5.11

IP(EA), eV:

 -8.45(-2.26)

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[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CN=C(N6C)C)NN4)/N=C32

DOS

IR

Vibrations