Geometry & MOs

Info

ID:	123190
PubChem CID:	50836730
Reduced:	F3N4O4H19C22 (1)
Stoich.:	A3B4C4D19E22 (1)
Weight, g/mol:	460.13584
ΔH_f, kcal/mol:	-233.97
Dipole, Da:	10.66
IP(EA), eV:	-9.07(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)NC2=NN=C(O2)C3CC(=O)N(C3)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations