Geometry & MOs

Info

ID:	121472
PubChem CID:	50769564
Reduced:	SO3N4C25H36 (1)
Stoich.:	AB3C4D25E36 (1)
Weight, g/mol:	410.150954
ΔH_f, kcal/mol:	-118.91
Dipole, Da:	9.64
IP(EA), eV:	-8.58(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethylphenyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C1CCCN(C1)C2=NC3=C(C=C2)C=C(C=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations