Geometry & MOs

Info

ID:

308752

PubChem CID:

126522448

Reduced:

FON7H16C23 (1)

Stoich.:

ABC7D16E23 (1)

Weight, g/mol:

535.280807

ΔHf, kcal/mol:

131.26

Dipole, Da:

5.18

IP(EA), eV:

 -8.57(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CC(=CC(=C6)F)O)/NN3

DOS

IR

Vibrations