Geometry & MOs

Info

ID:

309066

PubChem CID:

126535936

Reduced:

FN8H21C26 (1)

Stoich.:

AB8C21D26 (1)

Weight, g/mol:

523.224435

ΔHf, kcal/mol:

179.94

Dipole, Da:

10.74

IP(EA), eV:

 -8.64(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-fluoro-5-[(2Z)-2-[5-(5-methoxypyridin-3-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

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)F

DOS

IR

Vibrations