Geometry & MOs

Info

ID:	31511
PubChem CID:	855808
Reduced:	O2N3H13C14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	346.968688
ΔH_f, kcal/mol:	34.9
Dipole, Da:	6.39
IP(EA), eV:	-8.38(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,6-dichloro-1-benzothiophen-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CO3

DOS

IR

Vibrations