Geometry & MOs

Info

ID:	44840
PubChem CID:	10506123
Reduced:	NO11C25H29 (1)
Stoich.:	AB11C25D29 (1)
Weight, g/mol:	519.199683
ΔH_f, kcal/mol:	-445.26
Dipole, Da:	6.51
IP(EA), eV:	-9.42(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-benzhydryl-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-azabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CC(=O)O)NC(=O)C1=CC=CC(=C1)C2=CC=CC=C2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

DOS

IR

Vibrations