Geometry & MOs

Info

ID:	89127
PubChem CID:	49959531
Reduced:	BrN3O5H14C17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	355.116821
ΔH_f, kcal/mol:	-20.52
Dipole, Da:	6.99
IP(EA), eV:	-9.27(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dimethylphenoxy)methyl]-5-[(4-nitrophenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=NN=C(O2)COC3=CC=C(C=C3)[N+](=O)[O-])Br

DOS

IR

Vibrations