Geometry & MOs

Info

ID:	88922
PubChem CID:	49957768
Reduced:	ClN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	359.067284
ΔH_f, kcal/mol:	-39.4
Dipole, Da:	2.36
IP(EA), eV:	-8.95(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC2=NN=C(O2)COC3=CC(=C(C=C3)Cl)C

DOS

IR

Vibrations