Geometry & MOs

Info

ID:	226001
PubChem CID:	87246581
Reduced:	NCl2O3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	266.15902
ΔH_f, kcal/mol:	-161.3
Dipole, Da:	6.4
IP(EA), eV:	-9.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;propane-1,2,3-triol

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC(=O)C=CO2.Cl.Cl

DOS

IR

Vibrations