Geometry & MOs

Info

ID:

318542

PubChem CID:

126651834

Reduced:

O3N8H28C32 (1)

Stoich.:

A3B8C28D32 (1)

Weight, g/mol:

556.233522

ΔHf, kcal/mol:

77.49

Dipole, Da:

3.13

IP(EA), eV:

 -8.58(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C/4\N=C5C=CC=C(C5=N4)C6=CC=C(C=C6)C(=O)N7CCOCC7)N=C2

DOS

IR

Vibrations