Geometry & MOs

Info

ID:	89302
PubChem CID:	49960382
Reduced:	BrN2O4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	-40.59
Dipole, Da:	5.93
IP(EA), eV:	-8.48(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-phenylphenoxy)methyl]-5-propyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=NN=C(O2)/C=C/C3=CC(=C(C=C3)OC)OC)Br

DOS

IR

Vibrations