Geometry & MOs

Info

ID:	76669
PubChem CID:	48425219
Reduced:	F3N3O3C17H30 (1)
Stoich.:	A3B3C3D17E30 (1)
Weight, g/mol:	390.158884
ΔH_f, kcal/mol:	-326.54
Dipole, Da:	2.01
IP(EA), eV:	-8.46(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,7-tetrahydro-1-benzothiophen-2-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations