Geometry & MOs

Info

ID:	344115
PubChem CID:	127267291
Reduced:	ON6C17H20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	107.93
Dipole, Da:	5.14
IP(EA), eV:	-9.23(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-benzylpiperidin-3-yl)-3-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC=CC=C2)C3=NC(=NO3)CN4C=CN=N4

DOS

IR

Vibrations