Geometry & MOs

Info

ID:	267765
PubChem CID:	103588721
Reduced:	BrN3O4C10H12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	343.01677
ΔH_f, kcal/mol:	-26.09
Dipole, Da:	4.34
IP(EA), eV:	-9.27(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(3-bromo-5-nitrophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1OCCC/C(=N\O)/N)Br)[N+](=O)[O-]

DOS

IR

Vibrations