Geometry & MOs

Info

ID:	60268
PubChem CID:	26676053
Reduced:	BrN3O3H10C14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	334.116486
ΔH_f, kcal/mol:	38.03
Dipole, Da:	3.99
IP(EA), eV:	-9.22(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-oxidopyridin-1-ium-2-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=[N+](C(=C1)OCC2=NN=C(O2)C3=CC=C(C=C3)Br)[O-]

DOS

IR

Vibrations