Geometry & MOs

Info

ID:	88991
PubChem CID:	49958532
Reduced:	IOCl2N2H9C15 (1)
Stoich.:	ABC2D2E9F15 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	52.84
Dipole, Da:	2.69
IP(EA), eV:	-9.39(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dimethylphenoxy)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(O2)C3=C(C=C(C=C3)Cl)Cl)I

DOS

IR

Vibrations