Geometry & MOs

Info

ID:	76445
PubChem CID:	48424934
Reduced:	N2F3O3C21H31 (1)
Stoich.:	A2B3C3D21E31 (1)
Weight, g/mol:	364.143234
ΔH_f, kcal/mol:	-287.27
Dipole, Da:	2.04
IP(EA), eV:	-8.64(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methylthiophen-2-yl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations