Geometry & MOs

Info

ID:

319911

PubChem CID:

126657559

Reduced:

OSN7H25C27 (1)

Stoich.:

ABC7D25E27 (1)

Weight, g/mol:

556.233522

ΔHf, kcal/mol:

146.83

Dipole, Da:

3.57

IP(EA), eV:

 -8.6(-2.1)

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-2-yl]propanamide

Drug info:

PubChemData

Smile

CCCCC(NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C/4\N=C5C=CC=C(C5=N4)C6=CC=CS6)N=C2)O

DOS

IR

Vibrations