Geometry & MOs

Info

ID:	50184
PubChem CID:	12012694
Reduced:	BrNOSC12H12 (1)
Stoich.:	ABCDE12F12 (1)
Weight, g/mol:	324.97721
ΔH_f, kcal/mol:	8.94
Dipole, Da:	7.18
IP(EA), eV:	-7.67(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetylpyridin-1-ium-1-yl)-1-thiophen-2-ylethanone;bromide

Drug info:

PubChemData

Smile

CC1=CC=CC=[N+]1CC(=O)C2=CC=CS2.[Br-]

DOS

IR

Vibrations