Geometry & MOs

Info

ID:	49771
PubChem CID:	11533793
Reduced:	NSCl2O5C25H29 (1)
Stoich.:	ABC2D5E25F29 (1)
Weight, g/mol:	525.16787
ΔH_f, kcal/mol:	-214.23
Dipole, Da:	7.21
IP(EA), eV:	-9.81(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-[(3-fluorophenyl)methoxy]ethyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol;bromide

Drug info:

PubChemData

Smile

C[C@]12CCC3C(C1CC[C@@H]2OC(=O)C4=CC(=C(C=C4Cl)Cl)S(=O)(=O)N)CCC5=CC(=O)CCC35

DOS

IR

Vibrations