Geometry & MOs

Info

ID:	76441
PubChem CID:	48424930
Reduced:	O2F3N3C21H28 (1)
Stoich.:	A2B3C3D21E28 (1)
Weight, g/mol:	348.202463
ΔH_f, kcal/mol:	-218.34
Dipole, Da:	4.33
IP(EA), eV:	-8.69(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexylidene-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCN1C=C(C2=CC=CC=C21)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations