Geometry & MOs

Info

ID:	150683
PubChem CID:	53790377
Reduced:	NOC10H17 (1)
Stoich.:	ABC10D17 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-47.13
Dipole, Da:	3.24
IP(EA), eV:	-9.16(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C(=O)C)N1C2CCC1CC2

DOS

IR

Vibrations