Geometry & MOs

Info

ID:	160876
PubChem CID:	57390093
Reduced:	NO5C31H33 (1)
Stoich.:	AB5C31D33 (1)
Weight, g/mol:	397.221721
ΔH_f, kcal/mol:	-128.13
Dipole, Da:	5.37
IP(EA), eV:	-9.25(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[2-[bis(4-fluorophenyl)methoxy]ethylidene]-8-propyl-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

C1C[C@H]2CC(=CCOC(C3=CC=CC=C3)C4=CC=CC=C4)C[C@@H]1N2CC5=CC=CC=C5.C(=O)(C(=O)O)O

DOS

IR

Vibrations