Geometry & MOs

Info

ID:	267795
PubChem CID:	103589379
Reduced:	BrN2O5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	358.01643
ΔH_f, kcal/mol:	-109.08
Dipole, Da:	9.76
IP(EA), eV:	-9.95(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations