Geometry & MOs

Info

ID:	81124
PubChem CID:	49854377
Reduced:	ON2H22C23 (1)
Stoich.:	AB2C22D23 (1)
Weight, g/mol:	274.096331
ΔH_f, kcal/mol:	29.47
Dipole, Da:	3.69
IP(EA), eV:	-8.21(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5E)-2-amino-5-[amino(dimethylamino)methyl]iminopentanoic acid;dihydrochloride

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C2=CC=C(C=C2)CC3C4=CC=CC=C4NC3=O

DOS

IR

Vibrations