Geometry & MOs

Info

ID:	267754
PubChem CID:	103588431
Reduced:	BrNO5C13H16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	318.96915
ΔH_f, kcal/mol:	-117.34
Dipole, Da:	5.37
IP(EA), eV:	-9.93(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)OC1=CC(=CC(=C1)[N+](=O)[O-])Br

DOS

IR

Vibrations