Geometry & MOs

Info

ID:	304269
PubChem CID:	124500419
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-89.11
Dipole, Da:	4.37
IP(EA), eV:	-8.77(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-[(1R)-1-methoxyethyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(C)C)OC1=CC=CC=C1[C@H](CN)O

DOS

IR

Vibrations