Geometry & MOs

Info

ID:	340844
PubChem CID:	127263279
Reduced:	ClNO3C10H16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	233.081871
ΔH_f, kcal/mol:	-148.37
Dipole, Da:	2.27
IP(EA), eV:	-9.32(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2R)-1-amino-3-hydroxypropan-2-yl]-2-methoxyphenol;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H](CN)CO)O.Cl

DOS

IR

Vibrations