Geometry & MOs

Info

ID:	54719
PubChem CID:	17389156
Reduced:	BrClON2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	404.92826
ΔH_f, kcal/mol:	-14.38
Dipole, Da:	8.97
IP(EA), eV:	-9.05(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-2-(2-chloro-3-nitropyridin-1-ium-1-yl)acetamide;chloride

Drug info:

PubChemData

Smile

CCC1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)Br.[Cl-]

DOS

IR

Vibrations