Geometry & MOs

Info

ID:	76605
PubChem CID:	48425138
Reduced:	O2F3N3C20H26 (1)
Stoich.:	A2B3C3D20E26 (1)
Weight, g/mol:	392.14784
ΔH_f, kcal/mol:	-227.54
Dipole, Da:	5.56
IP(EA), eV:	-8.59(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(NC2=C1)C(=O)N3CCN(CC3)CCCOCC(F)(F)F)C

DOS

IR

Vibrations