Geometry & MOs

Info

ID:	13532
PubChem CID:	242820
Reduced:	BrN2O3H5C6 (1)
Stoich.:	AB2C3D5E6 (1)
Weight, g/mol:	231.94835
ΔH_f, kcal/mol:	-3.45
Dipole, Da:	1.12
IP(EA), eV:	-9.76(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(dihydroxyamino)-6-iminocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=C(C=C(C(=O)C1=N)N(O)O)Br

DOS

IR

Vibrations