Geometry & MOs

Info

ID:	268014
PubChem CID:	103595757
Reduced:	BrOSN3C13H22 (1)
Stoich.:	ABCD3E13F22 (1)
Weight, g/mol:	335.992482
ΔH_f, kcal/mol:	-27.79
Dipole, Da:	5.04
IP(EA), eV:	-8.82(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-(4-fluoro-3-nitrophenyl)-1-oxido-5-(trifluoromethyl)pyridin-1-ium

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)Br)CC(C2CSCCN2C)O

DOS

IR

Vibrations