Geometry & MOs

Info

ID:	76511
PubChem CID:	48425021
Reduced:	N2F3O4C20H25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	393.223926
ΔH_f, kcal/mol:	-291.88
Dipole, Da:	3.78
IP(EA), eV:	-8.72(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)C=CC(=C2)OC)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations