Geometry & MOs

Info

ID:	408754
PubChem CID:	135081522
Reduced:	N2O2H9C17 (1)
Stoich.:	A2B2C9D17 (1)
Weight, g/mol:	314.104185
ΔH_f, kcal/mol:	71.0
Dipole, Da:	2.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.337860
Charge, e:	1

Chem-info

IUPAC name:

4-[(E)-2-[4-cyano-5-(dicyanomethylidene)-2,2-dimethylfuran-3-yl]ethenyl]benzenediazonium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C(=O)C3=C2C(=O)C4=CC=CC=C43)[N+]#N

DOS

IR

Vibrations