Geometry & MOs

Info

ID:	76581
PubChem CID:	48425114
Reduced:	F3N3O3C18H28 (1)
Stoich.:	A3B3C3D18E28 (1)
Weight, g/mol:	365.192626
ΔH_f, kcal/mol:	-283.6
Dipole, Da:	6.54
IP(EA), eV:	-8.96(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1CN2CC(CC2=O)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations