Geometry & MOs

Info

ID:	76688
PubChem CID:	48425247
Reduced:	N2F3O4C20H25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	417.187541
ΔH_f, kcal/mol:	-282.04
Dipole, Da:	2.78
IP(EA), eV:	-8.93(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=C(OC2=CC=CC=C21)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations