Geometry & MOs

Info

ID:

447965

PubChem CID:

135287164

Reduced:

OSN8H22C26 (1)

Stoich.:

ABC8D22E26 (1)

Weight, g/mol:

465.173565

ΔHf, kcal/mol:

171.2

Dipole, Da:

6.63

IP(EA), eV:

 -8.77(-2.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3E)-3-[4-(5-methylthiophen-2-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\N=C5C=NC=C(C5=N4)C6=CC=CS6

DOS

IR

Vibrations