Geometry & MOs

Info

ID:	76505
PubChem CID:	48425012
Reduced:	ClSN2O2F3C16H22 (1)
Stoich.:	ABC2D2E3F16G22 (1)
Weight, g/mol:	408.142755
ΔH_f, kcal/mol:	-231.75
Dipole, Da:	3.74
IP(EA), eV:	-8.85(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCC2=CC=C(S2)Cl

DOS

IR

Vibrations