Geometry & MOs

Info

ID:	76487
PubChem CID:	48424991
Reduced:	N2F3O3C19H27 (1)
Stoich.:	A2B3C3D19E27 (1)
Weight, g/mol:	384.166077
ΔH_f, kcal/mol:	-274.78
Dipole, Da:	2.86
IP(EA), eV:	-9.27(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCOCC2=CC=CC=C2

DOS

IR

Vibrations