Geometry & MOs

Info

ID:	352792
PubChem CID:	127283881
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	-51.62
Dipole, Da:	4.6
IP(EA), eV:	-8.41(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylphenyl)-5-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations