Geometry & MOs

Info

ID:	323341
PubChem CID:	126674401
Reduced:	NF6H17C20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	502.156279
ΔH_f, kcal/mol:	-272.3
Dipole, Da:	6.05
IP(EA), eV:	-8.87(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[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

C1CC=CC(C1)N(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations