Geometry & MOs

Info

ID:

449299

PubChem CID:

135297477

Reduced:

FN8H17C23 (1)

Stoich.:

AB8C17D23 (1)

Weight, g/mol:

492.193469

ΔHf, kcal/mol:

185.69

Dipole, Da:

8.92

IP(EA), eV:

 -8.4(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[(3Z)-3-[7-(3-fluoro-5-methylphenyl)imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations