Geometry & MOs

Info

ID:	76585
PubChem CID:	48425118
Reduced:	F3N3O4C19H26 (1)
Stoich.:	A3B3C4D19E26 (1)
Weight, g/mol:	402.213027
ΔH_f, kcal/mol:	-294.08
Dipole, Da:	6.88
IP(EA), eV:	-8.63(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dimethylphenoxy)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCNC(=O)/C=C/C2=CC=CO2

DOS

IR

Vibrations