Geometry & MOs

Info

ID:	52084
PubChem CID:	12014867
Reduced:	AsN7H22C35 (1)
Stoich.:	AB7C22D35 (1)
Weight, g/mol:	233.044993
ΔH_f, kcal/mol:	523.87
Dipole, Da:	14.86
IP(EA), eV:	-6.14(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-amino-5-(1,2-dicyano-3-iminoprop-2-enylidene)pyrrole-3,4-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[As+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C(#N)C\1=C(C(=N/C1=C(/C#N)\C(=C=[N-])C#N)N)C#N

DOS

IR

Vibrations