Geometry & MOs

Info

ID:	197056
PubChem CID:	78914658
Reduced:	OBr2N2F3C11H11 (1)
Stoich.:	AB2C2D3E11F11 (1)
Weight, g/mol:	267.119461
ΔH_f, kcal/mol:	-190.27
Dipole, Da:	6.83
IP(EA), eV:	-9.67(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)NC(=O)CNCC(F)(F)F)Br

DOS

IR

Vibrations