Geometry & MOs

Info

ID:	76626
PubChem CID:	48425165
Reduced:	SN2O2F3C18H25 (1)
Stoich.:	AB2C2D3E18F25 (1)
Weight, g/mol:	388.197377
ΔH_f, kcal/mol:	-230.34
Dipole, Da:	6.3
IP(EA), eV:	-8.82(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylphenoxy)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CSCC2=CC=CC=C2

DOS

IR

Vibrations