Geometry & MOs

Info

ID:	50186
PubChem CID:	12012697
Reduced:	BrNSO2H14C18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	373.0136
ΔH_f, kcal/mol:	14.25
Dipole, Da:	8.0
IP(EA), eV:	-8.18(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=CS3.[Br-]

DOS

IR

Vibrations