Geometry & MOs

Info

ID:	89088
PubChem CID:	49959271
Reduced:	BrN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	388.074533
ΔH_f, kcal/mol:	-16.55
Dipole, Da:	3.09
IP(EA), eV:	-9.06(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,4-dichlorophenoxy)propyl]-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC2=NN=C(O2)COC3=C(C=C(C=C3)Br)C

DOS

IR

Vibrations