Geometry & MOs

Info

ID:	250400
PubChem CID:	103096330
Reduced:	IN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	13.2
Dipole, Da:	3.45
IP(EA), eV:	-9.85(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(6-methylpyridin-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=CC=CC=C2I)O

DOS

IR

Vibrations