Geometry & MOs

Info

ID:	323351
PubChem CID:	126674458
Reduced:	BrN3F6H10C14 (1)
Stoich.:	AB3C6D10E14 (1)
Weight, g/mol:	500.160615
ΔH_f, kcal/mol:	-264.32
Dipole, Da:	6.7
IP(EA), eV:	-9.89(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2=NC(=NN2C1)Br)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations