Geometry & MOs

Info

ID:	267792
PubChem CID:	103589369
Reduced:	BrN2O5C11H13 (1)
Stoich.:	AB2C5D11E13 (1)
Weight, g/mol:	346.01643
ΔH_f, kcal/mol:	-107.22
Dipole, Da:	4.9
IP(EA), eV:	-10.05(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-5-nitrophenoxy)-2-(ethylamino)butanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(COC1=CC(=CC(=C1)[N+](=O)[O-])Br)N

DOS

IR

Vibrations