Geometry & MOs

Info

ID:	89308
PubChem CID:	49960430
Reduced:	BrN2O2H19C22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	29.58
Dipole, Da:	1.26
IP(EA), eV:	-9.01(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-5-propyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=NN=C(O2)CC3=CC=CC4=CC=CC=C43)Br

DOS

IR

Vibrations