Geometry & MOs

Info

ID:	340843
PubChem CID:	127263278
Reduced:	ClNO4C12H22 (1)
Stoich.:	ABC4D12E22 (1)
Weight, g/mol:	233.081871
ΔH_f, kcal/mol:	-247.86
Dipole, Da:	7.69
IP(EA), eV:	-10.17(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C[C@H](C[C@H](C(=O)O)N)C(=O)O.Cl

DOS

IR

Vibrations