Geometry & MOs

Info

ID:	57196
PubChem CID:	22395465
Reduced:	BrN3C13H14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	394.146169
ΔH_f, kcal/mol:	27.1
Dipole, Da:	3.97
IP(EA), eV:	-8.75(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-[bis(carboxymethyl)amino]ethylamino]ethyl-tris(carboxymethyl)azanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=N)N.Br

DOS

IR

Vibrations