Geometry & MOs

Info

ID:	38072
PubChem CID:	8026775
Reduced:	SN4O4C19H20 (1)
Stoich.:	AB4C4D19E20 (1)
Weight, g/mol:	299.05591
ΔH_f, kcal/mol:	-117.19
Dipole, Da:	9.25
IP(EA), eV:	-9.45(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(4-bromo-2-fluorophenyl)methyl]-4-aza-1-azoniabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)[C@H]4CCCC[C@@H]4C3=O

DOS

IR

Vibrations