Geometry & MOs

Info

ID:	341942
PubChem CID:	127264635
Reduced:	ClNO3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	231.066221
ΔH_f, kcal/mol:	-139.84
Dipole, Da:	4.99
IP(EA), eV:	-9.76(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1S)-1-amino-2-hydroxyethyl]benzoate;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)[C@H](CO)N.Cl

DOS

IR

Vibrations