Geometry & MOs

Info

ID:

308958

PubChem CID:

126532759

Reduced:

N10C25H26 (1)

Stoich.:

A10B25C26 (1)

Weight, g/mol:

550.291706

ΔHf, kcal/mol:

213.79

Dipole, Da:

8.2

IP(EA), eV:

 -8.27(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]-2-piperidin-4-ylacetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CN=CC(=N6)N7CC(C7)N)NN4)/C=C32

DOS

IR

Vibrations