Geometry & MOs

Info

ID:

449305

PubChem CID:

135297506

Reduced:

N8H24C27 (1)

Stoich.:

A8B24C27 (1)

Weight, g/mol:

528.238608

ΔHf, kcal/mol:

217.25

Dipole, Da:

9.11

IP(EA), eV:

 -8.51(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[7-(3-methylphenyl)imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C(=CC=NC5=N4)C6=CC=CC(=C6)C

DOS

IR

Vibrations