Geometry & MOs

Info

ID:	76659
PubChem CID:	48425205
Reduced:	F3N3O3C20H26 (1)
Stoich.:	A3B3C3D20E26 (1)
Weight, g/mol:	375.176976
ΔH_f, kcal/mol:	-271.59
Dipole, Da:	5.74
IP(EA), eV:	-8.7(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-methyl-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations