Geometry & MOs

Info

ID:	140918
PubChem CID:	52783900
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	441.106704
ΔH_f, kcal/mol:	-4.63
Dipole, Da:	3.43
IP(EA), eV:	-8.55(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]benzamide

Drug info:

PubChemData

Smile

C[NH+]=C(N)NC[C@H](C1=CC=C(C=C1)OC)[NH+]2CCCCC2

DOS

IR

Vibrations