Geometry & MOs

Info

ID:	45420
PubChem CID:	10513022
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	219.050713
ΔH_f, kcal/mol:	-68.48
Dipole, Da:	4.07
IP(EA), eV:	-8.09(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(2,3,4-trifluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

C[C@]12CCCC[C@H]1C3=C(O2)C=CC(=C3)OC

DOS

IR

Vibrations