Geometry & MOs

Info

ID:	89215
PubChem CID:	49959926
Reduced:	BrN2O3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	372.070599
ΔH_f, kcal/mol:	-16.85
Dipole, Da:	5.96
IP(EA), eV:	-9.11(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dinitrophenyl)-5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=NN=C(O2)C3=CC=CC=C3OC)Br

DOS

IR

Vibrations