Geometry & MOs

Info

ID:	141554
PubChem CID:	52893540
Reduced:	F3N3O3C19H24 (1)
Stoich.:	A3B3C3D19E24 (1)
Weight, g/mol:	409.083421
ΔH_f, kcal/mol:	-208.44
Dipole, Da:	3.84
IP(EA), eV:	-9.43(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-chloro-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-nitrobenzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations