Geometry & MOs

Info

ID:	267796
PubChem CID:	103589380
Reduced:	BrN2O5C13H15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	343.01677
ΔH_f, kcal/mol:	-85.77
Dipole, Da:	8.22
IP(EA), eV:	-10.07(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-5-nitrophenoxy)-2-(cyclopropylamino)propanamide

Drug info:

PubChemData

Smile

CC(COC1=CC(=CC(=C1)[N+](=O)[O-])Br)(C(=O)O)NC2CC2

DOS

IR

Vibrations