Geometry & MOs

Info

ID:	48182
PubChem CID:	10537754
Reduced:	N2O4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	236.01681
ΔH_f, kcal/mol:	-66.58
Dipole, Da:	6.34
IP(EA), eV:	-9.1(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-5H-[1,2,4]triazolo[5,1-b][1,3,4]oxadiazole-6-thione

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)/C(=C/[N+]#N)/[O-])OC)OC

DOS

IR

Vibrations