Geometry & MOs

Info

ID:	136549
PubChem CID:	52060653
Reduced:	N4O5C25H29 (1)
Stoich.:	A4B5C25D29 (1)
Weight, g/mol:	464.20597
ΔH_f, kcal/mol:	-75.93
Dipole, Da:	11.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.159928
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CNC(=O)C2CC[NH+](CC2)CC3=NC(=NO3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations