Geometry & MOs

Info

ID:	365983
PubChem CID:	127319273
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	344.14193
ΔH_f, kcal/mol:	60.62
Dipole, Da:	3.54
IP(EA), eV:	-9.34(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(C1)CC2=NC(=NO2)C3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations