Geometry & MOs

Info

ID:	89125
PubChem CID:	49959527
Reduced:	Br2N3O5H13C17 (1)
Stoich.:	A2B3C5D13E17 (1)
Weight, g/mol:	383.148121
ΔH_f, kcal/mol:	-8.29
Dipole, Da:	9.37
IP(EA), eV:	-9.82(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=NN=C(O2)COC3=CC=C(C=C3)[N+](=O)[O-])Br)Br

DOS

IR

Vibrations