Geometry & MOs

Info

ID:	265807
PubChem CID:	103547991
Reduced:	NO3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	302.97424
ΔH_f, kcal/mol:	-101.95
Dipole, Da:	1.58
IP(EA), eV:	-9.43(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(4-bromo-2-nitrophenoxy)butanoic acid

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)O)OC1=CN=CC=C1

DOS

IR

Vibrations