Geometry & MOs

Info

ID:	26224
PubChem CID:	641407
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-79.82
Dipole, Da:	1.87
IP(EA), eV:	-9.46(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(1S)-1-phenylprop-2-enyl]propanedioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations