Geometry & MOs

Info

ID:	1420
PubChem CID:	4388
Reduced:	NO5C7H13 (1)
Stoich.:	AB5C7D13 (1)
Weight, g/mol:	191.079373
ΔH_f, kcal/mol:	-234.6
Dipole, Da:	4.29
IP(EA), eV:	-10.5(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxy-4-oxo-4-(propylamino)butanoic acid

Drug info:

PubChemData

Smile

CCCNC(=O)C(C(C(=O)O)O)O

DOS

IR

Vibrations