Geometry & MOs

Info

ID:

449486

PubChem CID:

135299022

Reduced:

FN8H21C26 (1)

Stoich.:

AB8C21D26 (1)

Weight, g/mol:

506.197886

ΔHf, kcal/mol:

177.65

Dipole, Da:

9.73

IP(EA), eV:

 -8.58(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(3-fluoro-5-methylphenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)N(C)C)NN4)/N=C32

DOS

IR

Vibrations