Geometry & MOs

Info

ID:	88965
PubChem CID:	49958286
Reduced:	BrN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-24.86
Dipole, Da:	6.84
IP(EA), eV:	-8.91(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OCC2=NN=C(O2)C3=CC(=C(C=C3)OC)Br

DOS

IR

Vibrations