Geometry & MOs

Info

ID:	372345
PubChem CID:	131296458
Reduced:	ON2F3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	196.073559
ΔH_f, kcal/mol:	-162.77
Dipole, Da:	3.92
IP(EA), eV:	-9.33(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-hydroxy-3-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1C(F)(F)F)N)O)CC#N

DOS

IR

Vibrations