Geometry & MOs

Info

ID:	209875
PubChem CID:	80733178
Reduced:	BrClON3H11C13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	327.93397
ΔH_f, kcal/mol:	7.06
Dipole, Da:	4.06
IP(EA), eV:	-9.16(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-bromopropyl)-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=C(C(=NC(=N2)C)Cl)C=O)Br

DOS

IR

Vibrations