Geometry & MOs

Info

ID:	449298
PubChem CID:	135297472
Reduced:	FN8H15C23 (1)
Stoich.:	AB8C15D23 (1)
Weight, g/mol:	424.156021
ΔH_f, kcal/mol:	190.74
Dipole, Da:	4.87
IP(EA), eV:	-8.71(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-7-(3-fluoro-5-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations