Geometry & MOs

Info

ID:	136921
PubChem CID:	52123216
Reduced:	N4O4C20H27 (1)
Stoich.:	A4B4C20D27 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-105.47
Dipole, Da:	8.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.016443
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)C1CC[NH+](CC1)CC2=NN=C(O2)C3=CC=C(C=C3)C

DOS

IR

Vibrations