Geometry & MOs

Info

ID:	76606
PubChem CID:	48425139
Reduced:	ClN2O2F3C18H24 (1)
Stoich.:	AB2C2D3E18F24 (1)
Weight, g/mol:	386.181727
ΔH_f, kcal/mol:	-245.88
Dipole, Da:	2.02
IP(EA), eV:	-8.98(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations