Geometry & MOs

Info

ID:	58718
PubChem CID:	24714765
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	309.124405
ΔH_f, kcal/mol:	-50.96
Dipole, Da:	3.04
IP(EA), eV:	-8.69(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]pentan-2-ol

Drug info:

PubChemData

Smile

COCCN1C2=CC=CC=C2C3(C1=O)NCCS3

DOS

IR

Vibrations