Geometry & MOs

Info

ID:	76698
PubChem CID:	48425260
Reduced:	N2F3O4C18H25 (1)
Stoich.:	A2B3C4D18E25 (1)
Weight, g/mol:	396.115305
ΔH_f, kcal/mol:	-302.08
Dipole, Da:	2.34
IP(EA), eV:	-8.95(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations