Geometry & MOs

Info

ID:	164122
PubChem CID:	74382043
Reduced:	F3O3N5H18C19 (1)
Stoich.:	A3B3C5D18E19 (1)
Weight, g/mol:	371.103669
ΔH_f, kcal/mol:	-142.24
Dipole, Da:	5.47
IP(EA), eV:	-8.74(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-chloropyridin-3-yl)ethane-1,2-dione

Drug info:

PubChemData

Smile

CCC1=NC2=C3C(=C(N(N3)N(C4=CC=CC=C4)OC(F)(F)F)C(=O)O)CCC2C=N1

DOS

IR

Vibrations