Geometry & MOs

Info

ID:

308974

PubChem CID:

126533304

Reduced:

OSN6H24C28 (1)

Stoich.:

ABC6D24E28 (1)

Weight, g/mol:

398.131366

ΔHf, kcal/mol:

169.03

Dipole, Da:

9.7

IP(EA), eV:

 -8.55(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-2-ylpyrrolo[2,3-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C/5\C=C6C(=N5)C=CN=C6C7=CC=CS7

DOS

IR

Vibrations