Geometry & MOs

Info

ID:	189229
PubChem CID:	77829254
Reduced:	ClN6H21C29 (1)
Stoich.:	AB6C21D29 (1)
Weight, g/mol:	308.137222
ΔH_f, kcal/mol:	216.87
Dipole, Da:	4.7
IP(EA), eV:	-8.73(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-diamino-6-benzyl-5-oxooctanedioic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C=CN3C=NN=N3)N(C=C2)CC4=CC(=CC=C4)C=CC5=NC6=C(C=CC(=C6)Cl)C=C5

DOS

IR

Vibrations