Geometry & MOs

Info

ID:	89232
PubChem CID:	49960085
Reduced:	BrN3O4H12C16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	346.027583
ΔH_f, kcal/mol:	21.22
Dipole, Da:	3.05
IP(EA), eV:	-9.17(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenoxy)methyl]-5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OCC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations