Geometry & MOs

Info

ID:	437942
PubChem CID:	135227337
Reduced:	OSN3F6H13C21 (1)
Stoich.:	ABC3D6E13F21 (1)
Weight, g/mol:	456.137337
ΔH_f, kcal/mol:	-166.5
Dipole, Da:	14.68
IP(EA), eV:	-8.12(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine

Drug info:

PubChemData

Smile

C1CC1C2=NC3=CNC(=CN3C2=C4C(=CC(=O)C=C4F)F)C5=CC(=C(C=C5)F)S(F)(F)F

DOS

IR

Vibrations