Geometry & MOs

Info

ID:	267762
PubChem CID:	103588661
Reduced:	BrClN2O3H8C14 (1)
Stoich.:	ABC2D3E8F14 (1)
Weight, g/mol:	343.01677
ΔH_f, kcal/mol:	34.66
Dipole, Da:	2.08
IP(EA), eV:	-10.01(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-nitrophenoxy)-1-piperazin-1-ylethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)Cl)COC2=CC(=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations