Geometry & MOs

Info

ID:	264240
PubChem CID:	103445405
Reduced:	ClN3C11H14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	267.041069
ΔH_f, kcal/mol:	40.58
Dipole, Da:	3.63
IP(EA), eV:	-8.98(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-chloropyridin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=N)C2=C(C=CC=N2)Cl

DOS

IR

Vibrations