Geometry & MOs

Info

ID:	323339
PubChem CID:	126674393
Reduced:	BrOF3N3H7C13 (1)
Stoich.:	ABC3D3E7F13 (1)
Weight, g/mol:	502.156279
ΔH_f, kcal/mol:	-109.3
Dipole, Da:	3.35
IP(EA), eV:	-9.59(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[5-fluoro-2-(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)(F)F)C2=CC=CN3C2=NC(=N3)Br

DOS

IR

Vibrations