Geometry & MOs

Info

ID:	261242
PubChem CID:	103224021
Reduced:	IO4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	255.074287
ΔH_f, kcal/mol:	-123.13
Dipole, Da:	3.01
IP(EA), eV:	-9.55(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-(4-methyl-2-nitrophenoxy)propanoic acid

Drug info:

PubChemData

Smile

COCC(C(=O)O)OC1=CC(=CC=C1)I

DOS

IR

Vibrations