Geometry & MOs

Info

ID:	76495
PubChem CID:	48425000
Reduced:	F3N3O4C13H22 (1)
Stoich.:	A3B3C4D13E22 (1)
Weight, g/mol:	391.154133
ΔH_f, kcal/mol:	-340.7
Dipole, Da:	2.17
IP(EA), eV:	-8.86(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)NCC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations