Geometry & MOs

Info

ID:	76469
PubChem CID:	48424962
Reduced:	SN2O2F3C17H25 (1)
Stoich.:	AB2C2D3E17F25 (1)
Weight, g/mol:	408.202463
ΔH_f, kcal/mol:	-238.9
Dipole, Da:	2.95
IP(EA), eV:	-8.85(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations