Geometry & MOs

Info

ID:	76540
PubChem CID:	48425058
Reduced:	F3O3N4C17H21 (1)
Stoich.:	A3B3C4D17E21 (1)
Weight, g/mol:	402.213027
ΔH_f, kcal/mol:	-200.45
Dipole, Da:	5.84
IP(EA), eV:	-9.14(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=N2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations