Geometry & MOs

Info

ID:	339457
PubChem CID:	127261390
Reduced:	ON3H5C9 (2)
Stoich.:	AB3C5D9 (2)
Weight, g/mol:	414.187818
ΔH_f, kcal/mol:	196.79
Dipole, Da:	6.62
IP(EA), eV:	-9.31(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethene-1,1,2-tricarbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=N/NC2=CC=C(C=C2)C(=C(C#N)C#N)C#N)[N+](=O)[O-]

DOS

IR

Vibrations