Geometry & MOs

Info

ID:	76707
PubChem CID:	48425270
Reduced:	N2F3O4C19H27 (1)
Stoich.:	A2B3C4D19E27 (1)
Weight, g/mol:	388.197377
ΔH_f, kcal/mol:	-309.08
Dipole, Da:	6.57
IP(EA), eV:	-8.61(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations