Geometry & MOs

Info

ID:	267791
PubChem CID:	103589312
Reduced:	FNBr2O3H8C13 (1)
Stoich.:	ABC2D3E8F13 (1)
Weight, g/mol:	332.00078
ΔH_f, kcal/mol:	-32.27
Dipole, Da:	4.52
IP(EA), eV:	-9.99(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-3-(3-bromo-5-nitrophenoxy)propanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1COC2=CC(=CC(=C2)[N+](=O)[O-])Br)Br)F

DOS

IR

Vibrations