Geometry & MOs

Info

ID:	89080
PubChem CID:	49959213
Reduced:	BrClN2O3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-17.07
Dipole, Da:	2.98
IP(EA), eV:	-9.18(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations