Geometry & MOs

Info

ID:

308766

PubChem CID:

126522462

Reduced:

FN6H21C24 (1)

Stoich.:

AB6C21D24 (1)

Weight, g/mol:

481.233857

ΔHf, kcal/mol:

123.5

Dipole, Da:

3.73

IP(EA), eV:

 -8.72(-2.07)

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]propanamide

Drug info:

PubChemData

Smile

C1CNCCC1C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CC=C(C=C6)F)/NN3

DOS

IR

Vibrations