Geometry & MOs

Info

ID:	76701
PubChem CID:	48425264
Reduced:	N2F3O3C19H27 (1)
Stoich.:	A2B3C3D19E27 (1)
Weight, g/mol:	413.192626
ΔH_f, kcal/mol:	-278.34
Dipole, Da:	4.08
IP(EA), eV:	-8.91(0.11)
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]phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC(C)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations