Geometry & MOs

Info

ID:	394220
PubChem CID:	135022552
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	491.76753
ΔH_f, kcal/mol:	-17.25
Dipole, Da:	7.54
IP(EA), eV:	-8.86(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5,6-tribromo-2-[(E)-2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophene

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\N(C)C)/C1=C(C=NC=C1)C#N

DOS

IR

Vibrations