Geometry & MOs

Info

ID:	13951
PubChem CID:	400759
Reduced:	NBr2O2H5C9 (1)
Stoich.:	AB2C2D5E9 (1)
Weight, g/mol:	318.86665
ΔH_f, kcal/mol:	23.81
Dipole, Da:	5.89
IP(EA), eV:	-8.9(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dibromo-2-nitroso-3H-inden-1-ol

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2C(=C1N=O)O)Br)Br

DOS

IR

Vibrations