Geometry & MOs

Info

ID:	169511
PubChem CID:	75113899
Reduced:	F2H9C13 (2)
Stoich.:	A2B9C13 (2)
Weight, g/mol:	358.150427
ΔH_f, kcal/mol:	-29.91
Dipole, Da:	2.8
IP(EA), eV:	-9.0(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylbenzamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC3C(=CC2C4=C3C(=C(C(=C4F)F)F)F)CC5=CC=CC=C5

DOS

IR

Vibrations