Geometry & MOs

Info

ID:

319912

PubChem CID:

126657561

Reduced:

ON4H14C16 (2)

Stoich.:

AB4C14D16 (2)

Weight, g/mol:

572.228437

ΔHf, kcal/mol:

114.64

Dipole, Da:

7.33

IP(EA), eV:

 -8.52(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-[4-(morpholine-4-carbonyl)phenyl]benzimidazol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-2-yl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=NC=C(C=C1)C2=CC\3=C(NN/C3=C/4\N=C5C=CC=C(C5=N4)C6=CC=C(C=C6)C(=O)N7CCCC7)N=C2

DOS

IR

Vibrations