Geometry & MOs

Info

ID:	341907
PubChem CID:	127264600
Reduced:	ClON2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	237.036813
ΔH_f, kcal/mol:	-48.43
Dipole, Da:	2.66
IP(EA), eV:	-9.13(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCCC12C3=C(CO2)C=CN=C3.Cl

DOS

IR

Vibrations