Geometry & MOs

Info

ID:	27487
PubChem CID:	821596
Reduced:	Cl2N3O3H7C12 (1)
Stoich.:	A2B3C3D7E12 (1)
Weight, g/mol:	334.035649
ΔH_f, kcal/mol:	5.95
Dipole, Da:	3.23
IP(EA), eV:	-9.71(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetamidophenyl) 4-chloro-3-nitrobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations