Geometry & MOs

Info

ID:	88930
PubChem CID:	49957864
Reduced:	ClN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	416.07356
ΔH_f, kcal/mol:	-18.01
Dipole, Da:	7.65
IP(EA), eV:	-8.96(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=NN=C(O2)/C=C/C3=CC=CC=C3OC)Cl

DOS

IR

Vibrations