Geometry & MOs

Info

ID:	89132
PubChem CID:	49959552
Reduced:	BrNOH7C9 (2)
Stoich.:	ABCD7E9 (2)
Weight, g/mol:	415.9558
ΔH_f, kcal/mol:	39.78
Dipole, Da:	5.18
IP(EA), eV:	-9.28(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-5-[(2,4-dibromophenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C2=NN=C(O2)COC3=C(C=C(C=C3)Br)Br

DOS

IR

Vibrations