Geometry & MOs

Info

ID:	267755
PubChem CID:	103588432
Reduced:	BrNO6C10H10 (1)
Stoich.:	ABC6D10E10 (1)
Weight, g/mol:	302.97424
ΔH_f, kcal/mol:	-151.23
Dipole, Da:	3.93
IP(EA), eV:	-10.29(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(3-bromo-5-nitrophenoxy)butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations