Geometry & MOs

Info

ID:	76670
PubChem CID:	48425220
Reduced:	SN2O2F3C18H25 (1)
Stoich.:	AB2C2D3E18F25 (1)
Weight, g/mol:	418.207942
ΔH_f, kcal/mol:	-238.56
Dipole, Da:	5.8
IP(EA), eV:	-8.7(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations