Geometry & MOs

Info

ID:	76722
PubChem CID:	48425286
Reduced:	F3N3O3C14H24 (1)
Stoich.:	A3B3C3D14E24 (1)
Weight, g/mol:	402.158884
ΔH_f, kcal/mol:	-308.95
Dipole, Da:	7.57
IP(EA), eV:	-8.83(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)NCCC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations