Geometry & MOs

Info

ID:	138956
PubChem CID:	52448726
Reduced:	NCl2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	267.074287
ΔH_f, kcal/mol:	-94.17
Dipole, Da:	2.17
IP(EA), eV:	-9.0(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-methyl 3-O-propan-2-yl 5-nitrobenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)OCCOC(=O)C2=CC(=C(C=C2)Cl)N

DOS

IR

Vibrations