Geometry & MOs

Info

ID:	136547
PubChem CID:	52060053
Reduced:	SO2N4C19H29 (1)
Stoich.:	AB2C4D19E29 (1)
Weight, g/mol:	450.19032
ΔH_f, kcal/mol:	-13.84
Dipole, Da:	9.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.954758
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC(C)C)NC(=O)C1CC[NH+](CC1)CC2=NC(=NO2)C3=CC=CS3

DOS

IR

Vibrations