Geometry & MOs

Info

ID:	260490
PubChem CID:	103193671
Reduced:	BrNF3O3C11H11 (1)
Stoich.:	ABC3D3E11F11 (1)
Weight, g/mol:	366.05546
ΔH_f, kcal/mol:	-269.09
Dipole, Da:	3.05
IP(EA), eV:	-9.28(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-2-(trifluoromethoxy)phenyl]-3-ethyl-3-methylpiperazine

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)Br)OC(F)(F)F)OC

DOS

IR

Vibrations