Geometry & MOs

Info

ID:	76504
PubChem CID:	48425010
Reduced:	ClN2O2F3C19H26 (1)
Stoich.:	AB2C2D3E19F26 (1)
Weight, g/mol:	398.104261
ΔH_f, kcal/mol:	-246.53
Dipole, Da:	3.37
IP(EA), eV:	-8.82(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chlorothiophen-2-yl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)Cl)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations