Geometry & MOs

Info

ID:	144906
PubChem CID:	53429968
Reduced:	NO4C6H6 (2)
Stoich.:	AB4C6D6 (2)
Weight, g/mol:	283.02475
ΔH_f, kcal/mol:	-170.45
Dipole, Da:	4.94
IP(EA), eV:	-10.93(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

5-[(2-chloroacetyl)amino]-2,4-dimethylbenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C(C)(C(=O)O)C(=O)O

DOS

IR

Vibrations