Geometry & MOs

Info

ID:	341973
PubChem CID:	127264666
Reduced:	FCl2N2C7H11 (1)
Stoich.:	AB2C2D7E11 (1)
Weight, g/mol:	247.077535
ΔH_f, kcal/mol:	-93.47
Dipole, Da:	6.32
IP(EA), eV:	-9.91(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-amino-3-(4-fluorophenyl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations