Geometry & MOs

Info

ID:	9646
PubChem CID:	91844
Reduced:	OC6H6 (3)
Stoich.:	AB6C6 (3)
Weight, g/mol:	282.125594
ΔH_f, kcal/mol:	-82.98
Dipole, Da:	2.34
IP(EA), eV:	-9.5(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzyl-3-oxo-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations