Geometry & MOs

Info

ID:

308977

PubChem CID:

126533370

Reduced:

N8H24C31 (1)

Stoich.:

A8B24C31 (1)

Weight, g/mol:

416.243693

ΔHf, kcal/mol:

250.47

Dipole, Da:

4.4

IP(EA), eV:

 -8.76(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCC2=CC(=CN=C2)C3=CC\4=C(NN/C4=C/5\C=C6C(=CN=CC6=N5)C7=CC=CC=N7)N=C3

DOS

IR

Vibrations