Geometry & MOs

Info

ID:	341819
PubChem CID:	127264512
Reduced:	ClN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	154.050905
ΔH_f, kcal/mol:	-129.8
Dipole, Da:	4.55
IP(EA), eV:	-8.62(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-amino-3-hydroxybutanamide;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CN2)C[C@@H](C(=O)OC)N.Cl

DOS

IR

Vibrations