Geometry & MOs

Info

ID:	76608
PubChem CID:	48425142
Reduced:	F3N3O4C19H24 (1)
Stoich.:	A3B3C4D19E24 (1)
Weight, g/mol:	388.197377
ΔH_f, kcal/mol:	-297.08
Dipole, Da:	4.06
IP(EA), eV:	-9.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxy-5-methylphenyl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCN2C3=CC=CC=C3OC2=O

DOS

IR

Vibrations