Geometry & MOs

Info

ID:	288041
PubChem CID:	104309731
Reduced:	ClNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	278.970128
ΔH_f, kcal/mol:	-104.76
Dipole, Da:	1.42
IP(EA), eV:	-8.26(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-(4-chloro-2-nitrophenoxy)propanoic acid

Drug info:

PubChemData

Smile

CCCOC1=CC=CC2=C1C=CN2CC(C(=O)O)Cl

DOS

IR

Vibrations