Geometry & MOs

Info

ID:	299087
PubChem CID:	117670783
Reduced:	NO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	250.989713
ΔH_f, kcal/mol:	-108.4
Dipole, Da:	1.36
IP(EA), eV:	-8.72(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-thiophen-2-ylthiophen-2-yl)sulfanylpropanenitrile

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)OC(=O)CN)OC)C

DOS

IR

Vibrations