Geometry & MOs

Info

ID:	227254
PubChem CID:	87560890
Reduced:	NH2O3C5 (2)
Stoich.:	AB2C3D5 (2)
Weight, g/mol:	472.424008
ΔH_f, kcal/mol:	-79.23
Dipole, Da:	5.75
IP(EA), eV:	-10.33(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[dicarboxy-[tris(2-methylpropyl)azaniumyl]methyl]-tris(2-methylpropyl)azanium

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)ON=C=O)C(=O)ON=C=O

DOS

IR

Vibrations