Geometry & MOs

Info

ID:	76582
PubChem CID:	48425115
Reduced:	F3N3O3C16H26 (1)
Stoich.:	A3B3C3D16E26 (1)
Weight, g/mol:	351.176976
ΔH_f, kcal/mol:	-304.06
Dipole, Da:	7.01
IP(EA), eV:	-8.98(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCN1CC(CC1=O)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations