Geometry & MOs

Info

ID:	44490
PubChem CID:	10503765
Reduced:	NO6C26H29 (1)
Stoich.:	AB6C26D29 (1)
Weight, g/mol:	451.212299
ΔH_f, kcal/mol:	-145.45
Dipole, Da:	5.34
IP(EA), eV:	-9.3(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-benzhydryl-3-[[4-(trifluoromethyl)phenyl]methoxy]-1-azabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)C2=CC=CC=C2)O[C@H]3C[C@H]([C@@H]4C[C@@H](ON4O3)C=O)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations