Geometry & MOs

Info

ID:	304270
PubChem CID:	124500422
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-123.36
Dipole, Da:	4.21
IP(EA), eV:	-9.79(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)[C@@H](C)OC)C(=O)O

DOS

IR

Vibrations