Geometry & MOs

Info

ID:	139912
PubChem CID:	52617012
Reduced:	F3O3N4C22H23 (1)
Stoich.:	A3B3C4D22E23 (1)
Weight, g/mol:	448.172225
ΔH_f, kcal/mol:	-178.81
Dipole, Da:	3.93
IP(EA), eV:	-9.09(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylfuran-3-yl)-[4-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)[C@@H](C)C3=NC(=NO3)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations