Geometry & MOs

Info

ID:	125052
PubChem CID:	50908225
Reduced:	ClSN2F3O3C14H16 (1)
Stoich.:	ABC2D3E3F14G16 (1)
Weight, g/mol:	235.100201
ΔH_f, kcal/mol:	-214.09
Dipole, Da:	15.61
IP(EA), eV:	-10.07(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1S,5R)-6-(4-chlorophenyl)-1-methyl-7-aza-6-azoniabicyclo[3.2.1]oct-6-ene

Drug info:

PubChemData

Smile

C[C@]12CCC[C@H](C1)[N+](=N2)C3=CC=C(C=C3)Cl.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations