Geometry & MOs

Info

ID:	203544
PubChem CID:	79843391
Reduced:	BrN3O4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	359.04807
ΔH_f, kcal/mol:	-76.78
Dipole, Da:	6.25
IP(EA), eV:	-9.33(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2-methyl-6-nitrophenoxy)-2-(ethylamino)-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCCC(C)(C(=O)N)NC)[N+](=O)[O-])Br

DOS

IR

Vibrations