Geometry & MOs

Info

ID:	152709
PubChem CID:	56311755
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	406.186813
ΔH_f, kcal/mol:	-91.36
Dipole, Da:	5.93
IP(EA), eV:	-8.31(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-1-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations