Geometry & MOs

Info

ID:	323333
PubChem CID:	126674225
Reduced:	F4N5C20H23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	484.1657
ΔH_f, kcal/mol:	-141.08
Dipole, Da:	5.4
IP(EA), eV:	-8.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2=NC(=NN2C1)NC3C4CCC3CNC4)C5=C(C=C(C=C5)C(F)(F)F)F

DOS

IR

Vibrations