Geometry & MOs

Info

ID:	337887
PubChem CID:	127258510
Reduced:	NO3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	289.027249
ΔH_f, kcal/mol:	-138.76
Dipole, Da:	9.4
IP(EA), eV:	-9.44(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxy-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations