Geometry & MOs

Info

ID:	76726
PubChem CID:	48425291
Reduced:	O2F3N4C20H33 (1)
Stoich.:	A2B3C4D20E33 (1)
Weight, g/mol:	412.158547
ΔH_f, kcal/mol:	-250.2
Dipole, Da:	2.4
IP(EA), eV:	-8.73(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(C)C)C)CC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations