Geometry & MOs

Info

ID:	139508
PubChem CID:	52544368
Reduced:	ON2F3C19H29 (1)
Stoich.:	AB2C3D19E29 (1)
Weight, g/mol:	355.174571
ΔH_f, kcal/mol:	-207.16
Dipole, Da:	3.04
IP(EA), eV:	-8.54(0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-phenyl-5-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-ium-1-yl]propyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCCCN2CCN(CC2)CC(F)(F)F

DOS

IR

Vibrations