Geometry & MOs

Info

ID:

449300

PubChem CID:

135297480

Reduced:

FN10H21C26 (1)

Stoich.:

AB10C21D26 (1)

Weight, g/mol:

561.240085

ΔHf, kcal/mol:

207.66

Dipole, Da:

10.33

IP(EA), eV:

 -8.67(-2.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CN=CC(=N6)N7CC(C7)N)NN4)/N=C23

DOS

IR

Vibrations