Geometry & MOs

Info

ID:	76624
PubChem CID:	48425162
Reduced:	F3N3O3C19H26 (1)
Stoich.:	A3B3C3D19E26 (1)
Weight, g/mol:	388.197377
ΔH_f, kcal/mol:	-267.99
Dipole, Da:	5.05
IP(EA), eV:	-8.88(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-propan-2-yloxyphenyl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCN(CC1)CCCOCC(F)(F)F)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations