Geometry & MOs

Info

ID:	124348
PubChem CID:	50880146
Reduced:	Cl2N2O3H14C16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	338.022498
ΔH_f, kcal/mol:	-30.62
Dipole, Da:	6.38
IP(EA), eV:	-9.77(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-(2,6-dimethyl-4-nitrophenyl)benzamide

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)[N+](=O)[O-])C)NC(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations