Geometry & MOs

Info

ID:	372954
PubChem CID:	131307448
Reduced:	O2C5H6N6 (1)
Stoich.:	A2B5C6D6 (1)
Weight, g/mol:	277.90938
ΔH_f, kcal/mol:	93.82
Dipole, Da:	4.05
IP(EA), eV:	-10.62(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-2-nitrobenzamide

Drug info:

PubChemData

Smile

CN1C(=NC(=N1)C(C#N)N)[N+](=O)[O-]

DOS

IR

Vibrations