Geometry & MOs

Info

ID:	341928
PubChem CID:	127264621
Reduced:	NCl2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	237.036813
ΔH_f, kcal/mol:	-26.8
Dipole, Da:	2.84
IP(EA), eV:	-9.03(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-amino-2-(2,4-difluorophenyl)acetate;hydrochloride

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Cl)NC.Cl

DOS

IR

Vibrations