Geometry & MOs

Info

ID:	267811
PubChem CID:	103589673
Reduced:	BrO3N6H7C11 (1)
Stoich.:	AB3C6D7E11 (1)
Weight, g/mol:	337.0062
ΔH_f, kcal/mol:	70.26
Dipole, Da:	2.75
IP(EA), eV:	-9.44(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-5-nitrophenoxy)-N-ethylpyridin-2-amine

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1OC2=NC(=NC3=C2C=NN3)N)Br)[N+](=O)[O-]

DOS

IR

Vibrations