Geometry & MOs

Info

ID:	416123
PubChem CID:	135089131
Reduced:	NOC21H27 (1)
Stoich.:	ABC21D27 (1)
Weight, g/mol:	386.157661
ΔH_f, kcal/mol:	-32.23
Dipole, Da:	3.71
IP(EA), eV:	-8.45(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)CC3=CC4=CC=CC=C4C=C3)O

DOS

IR

Vibrations