Geometry & MOs

Info

ID:	38344
PubChem CID:	8031304
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	272.176287
ΔH_f, kcal/mol:	-2.69
Dipole, Da:	5.91
IP(EA), eV:	-8.53(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-methylphenyl)-5-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCCCNC1=C2C(=C(OC2=NC=N1)C3=CC=CO3)C4=CC=CO4

DOS

IR

Vibrations