Geometry & MOs

Info

ID:

449302

PubChem CID:

135297487

Reduced:

FON7H16C24 (1)

Stoich.:

ABC7D16E24 (1)

Weight, g/mol:

474.191657

ΔHf, kcal/mol:

135.56

Dipole, Da:

3.38

IP(EA), eV:

 -8.71(-2.31)

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]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations