Geometry & MOs

Info

ID:	52083
PubChem CID:	12014866
Reduced:	N2O2H13C16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	615.115263
ΔH_f, kcal/mol:	3.47
Dipole, Da:	7.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.813778
Charge, e:	0

Chem-info

IUPAC name:

[(3E)-3-(5-amino-3,4-dicyanopyrrol-2-ylidene)-2,3-dicyanoprop-1-enylidene]azanide;tetraphenylarsanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=[N+](C(=CC2=O)O)C3=CC=CC=C3

DOS

IR

Vibrations