Geometry & MOs

Info

ID:

10633

PubChem CID:

105809

Reduced:

O4N5C18H18 (1)

Stoich.:

A4B5C18D18 (1)

Weight, g/mol:

368.135879

ΔHf, kcal/mol:

-2.77

Dipole, Da:

2.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.304064

Charge, e:

 1

Chem-info

IUPAC name:

4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-2,5-dimethoxybenzenediazonium

Drug info:

PubChemData

Smile

CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=CC(=C(C=C2OC)[N+]#N)OC

DOS

IR

Vibrations