Geometry & MOs

Info

ID:	9121
PubChem CID:	86280
Reduced:	BrN2O3H5C7 (1)
Stoich.:	AB2C3D5E7 (1)
Weight, g/mol:	243.94835
ΔH_f, kcal/mol:	-17.27
Dipole, Da:	6.71
IP(EA), eV:	-10.39(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)C(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations