Geometry & MOs

Info

ID:	88919
PubChem CID:	49957757
Reduced:	BrClN2O3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	316.06147
ΔH_f, kcal/mol:	-20.46
Dipole, Da:	2.81
IP(EA), eV:	-9.15(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-3-methylphenoxy)methyl]-5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations