Geometry & MOs

Info

ID:	136909
PubChem CID:	52121710
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	399.276001
ΔH_f, kcal/mol:	-47.28
Dipole, Da:	6.38
IP(EA), eV:	-8.85(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-butyl-1-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-ethylpiperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)C1CCN(CC1)CC2=NN=C(O2)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations