Geometry & MOs

Info

ID:	89228
PubChem CID:	49960061
Reduced:	BrN2O2H17C21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	34.6
Dipole, Da:	4.4
IP(EA), eV:	-9.06(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OCC2=NN=C(O2)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations