Geometry & MOs

Info

ID:	32497
PubChem CID:	7839624
Reduced:	NO4H15C18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	309.100108
ΔH_f, kcal/mol:	-71.44
Dipole, Da:	3.21
IP(EA), eV:	-9.58(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-cyanoethyl] 2-(4-benzoylphenoxy)acetate

Drug info:

PubChemData

Smile

C[C@@H](C#N)OC(=O)COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations