Geometry & MOs

Info

ID:

309064

PubChem CID:

126535894

Reduced:

FN12C29H29 (1)

Stoich.:

AB12C29D29 (1)

Weight, g/mol:

550.189943

ΔHf, kcal/mol:

216.31

Dipole, Da:

8.31

IP(EA), eV:

 -8.65(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations