Geometry & MOs

Info

ID:	89041
PubChem CID:	49958869
Reduced:	BrN2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	344.00217
ΔH_f, kcal/mol:	15.24
Dipole, Da:	4.17
IP(EA), eV:	-9.14(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-iodo-4-methoxyphenyl)-5-propyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=NN=C(O2)CC3=CC=CC=C3)Br

DOS

IR

Vibrations