Geometry & MOs

Info

ID:	136922
PubChem CID:	52123217
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	456.26108
ΔH_f, kcal/mol:	-114.88
Dipole, Da:	6.78
IP(EA), eV:	-9.07(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 4-[[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-ium-4-carbonyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations