Geometry & MOs

Info

ID:

168645

PubChem CID:

74998204

Reduced:

NO2C19H22 (1)

Stoich.:

AB2C19D22 (1)

Weight, g/mol:

204.12224

ΔHf, kcal/mol:

-46.56

Dipole, Da:

4.44

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.584706

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-2-(2,3-diaminopropanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CCC[NH+]1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)O)O

DOS

IR

Vibrations