Geometry & MOs

Info

ID:	381889
PubChem CID:	134972749
Reduced:	NO2C8H15 (1)
Stoich.:	AB2C8D15 (1)
Weight, g/mol:	278.022393
ΔH_f, kcal/mol:	-92.08
Dipole, Da:	1.47
IP(EA), eV:	-10.17(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclopenta-2,4-dien-1-ylethynyl)thieno[3,2-e][1]benzothiole

Drug info:

PubChemData

Smile

CCOC(=O)/N=C/C(C)(C)C

DOS

IR

Vibrations