Geometry & MOs

Info

ID:	267752
PubChem CID:	103588258
Reduced:	BrNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	288.95858
ΔH_f, kcal/mol:	-44.6
Dipole, Da:	2.66
IP(EA), eV:	-8.73(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-nitrophenoxy)propanoic acid

Drug info:

PubChemData

Smile

C1CCCC(CC1)OC2=CC(=CC(=C2)N)Br

DOS

IR

Vibrations