Geometry & MOs

Info

ID:	76680
PubChem CID:	48425234
Reduced:	F3N3O4C17H20 (1)
Stoich.:	A3B3C4D17E20 (1)
Weight, g/mol:	402.213027
ΔH_f, kcal/mol:	-226.92
Dipole, Da:	5.38
IP(EA), eV:	-8.97(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-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)C2=NOC(=C2)C3=CC=CO3

DOS

IR

Vibrations