Geometry & MOs

Info

ID:	88923
PubChem CID:	49957787
Reduced:	ClN3O4H14C17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	358.10842
ΔH_f, kcal/mol:	-3.58
Dipole, Da:	4.65
IP(EA), eV:	-9.12(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations