Geometry & MOs

Info

ID:	448226
PubChem CID:	135289437
Reduced:	NO3C4H5 (1)
Stoich.:	AB3C4D5 (1)
Weight, g/mol:	494.197886
ΔH_f, kcal/mol:	-26.69
Dipole, Da:	6.55
IP(EA), eV:	-10.41(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3Z)-3-[7-(3-fluoro-5-methoxyphenyl)imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine

Drug info:

PubChemData

Smile

C/C=C/C(=O)[N+](=O)[O-]

DOS

IR

Vibrations