Geometry & MOs

Info

ID:	76454
PubChem CID:	48424947
Reduced:	N2F3O4C19H27 (1)
Stoich.:	A2B3C4D19E27 (1)
Weight, g/mol:	391.154133
ΔH_f, kcal/mol:	-304.27
Dipole, Da:	4.94
IP(EA), eV:	-8.92(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethylsulfanylpyridin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COCCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations