Geometry & MOs

Info

ID:	76586
PubChem CID:	48425119
Reduced:	N2F3O3C20H29 (1)
Stoich.:	A2B3C3D20E29 (1)
Weight, g/mol:	386.218113
ΔH_f, kcal/mol:	-286.91
Dipole, Da:	4.2
IP(EA), eV:	-8.83(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations