Geometry & MOs

Info

ID:	267794
PubChem CID:	103589371
Reduced:	BrN3O4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	346.01643
ΔH_f, kcal/mol:	-43.26
Dipole, Da:	7.3
IP(EA), eV:	-9.81(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-5-nitrophenoxy)-2-(ethylamino)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1CC1NC(CCOC2=CC(=CC(=C2)[N+](=O)[O-])Br)C(=O)N

DOS

IR

Vibrations