Geometry & MOs

Info

ID:	365992
PubChem CID:	127319286
Reduced:	O3N6C14H16 (1)
Stoich.:	A3B6C14D16 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	8.85
Dipole, Da:	4.64
IP(EA), eV:	-9.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(4-methylpiperidin-1-yl)pyridin-3-yl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC2=NC(=NO2)CN3C=CC=N3)C4CC4

DOS

IR

Vibrations