Geometry & MOs

Info

ID:	352804
PubChem CID:	127283893
Reduced:	F3N6C18H23 (1)
Stoich.:	A3B6C18D23 (1)
Weight, g/mol:	372.161997
ΔH_f, kcal/mol:	-65.64
Dipole, Da:	5.06
IP(EA), eV:	-9.15(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCCN2CC3=NN=NN3C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations