Geometry & MOs

Info

ID:	179045
PubChem CID:	76426684
Reduced:	NO3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	329.160023
ΔH_f, kcal/mol:	-100.42
Dipole, Da:	8.06
IP(EA), eV:	-8.93(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(triazolidin-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCN2CCCC(C2C1)COC3=CC4=C(C=C3)C=CC(=O)O4

DOS

IR

Vibrations