Geometry & MOs

Info

ID:	246156
PubChem CID:	103047075
Reduced:	OCl2F2H10C14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	231.046234
ΔH_f, kcal/mol:	-102.1
Dipole, Da:	2.9
IP(EA), eV:	-9.7(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)OCC2=C(C=CC(=C2)Cl)F)CCl

DOS

IR

Vibrations