Geometry & MOs

Info

ID:

447958

PubChem CID:

135287144

Reduced:

N9C22H23 (1)

Stoich.:

A9B22C23 (1)

Weight, g/mol:

497.265157

ΔHf, kcal/mol:

183.99

Dipole, Da:

4.01

IP(EA), eV:

 -8.11(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-2-[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]oxyethanamine

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=NC\3=C(C=C2)NN/C3=C/4\N=C5C=NC=C(C5=N4)N6CCCCC6

DOS

IR

Vibrations