Geometry & MOs

Info

ID:	354809
PubChem CID:	127287569
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	-72.14
Dipole, Da:	0.69
IP(EA), eV:	-9.37(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]piperidin-4-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CC(=O)N2CCCC2C(C)(C)C

DOS

IR

Vibrations