Geometry & MOs

Info

ID:

308717

PubChem CID:

126522413

Reduced:

SN7H13C20 (1)

Stoich.:

AB7C13D20 (1)

Weight, g/mol:

477.202556

ΔHf, kcal/mol:

232.74

Dipole, Da:

5.71

IP(EA), eV:

 -8.58(-2.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-N-[5-[(3E)-3-[4-(4-methylimidazol-1-yl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1=CSC=C1C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CNN=C6)/C=C23

DOS

IR

Vibrations