Geometry & MOs

Info

ID:	76463
PubChem CID:	48424956
Reduced:	N2F3O4C16H29 (1)
Stoich.:	A2B3C4D16E29 (1)
Weight, g/mol:	418.133812
ΔH_f, kcal/mol:	-346.12
Dipole, Da:	3.99
IP(EA), eV:	-9.07(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCOCCCC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations