Geometry & MOs

Info

ID:	409037
PubChem CID:	135081811
Reduced:	N2O2C12H13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	532.993945
ΔH_f, kcal/mol:	-8.41
Dipole, Da:	4.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.817020
Charge, e:	0

Chem-info

IUPAC name:

disodium;(3E)-7-amino-3-[(8-hydroxy-6-sulfonatonaphthalen-2-yl)hydrazinylidene]-4-oxonaphthalene-2-sulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1[N+]#N)C)OC(=O)C(=C)C

DOS

IR

Vibrations