Geometry & MOs

Info

ID:	124943
PubChem CID:	50904977
Reduced:	NO2C20H31 (1)
Stoich.:	AB2C20D31 (1)
Weight, g/mol:	374.260766
ΔH_f, kcal/mol:	-101.95
Dipole, Da:	3.0
IP(EA), eV:	-8.83(0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC[C@H](CN2C[C@@]3(C[C@H]2CC(C3)(C)C)C)O

DOS

IR

Vibrations