Geometry & MOs

Info

ID:	76532
PubChem CID:	48425049
Reduced:	N2F3O3C15H27 (1)
Stoich.:	A2B3C3D15E27 (1)
Weight, g/mol:	414.02245
ΔH_f, kcal/mol:	-258.98
Dipole, Da:	5.65
IP(EA), eV:	-9.1(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations