Geometry & MOs

Info

ID:	88957
PubChem CID:	49958216
Reduced:	Cl2N2O3H18C19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-45.52
Dipole, Da:	6.15
IP(EA), eV:	-9.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dimethylphenoxy)methyl]-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC2=NN=C(O2)C(C)OC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations