Geometry & MOs

Info

ID:	388883
PubChem CID:	134990521
Reduced:	OC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	354.146724
ΔH_f, kcal/mol:	-34.04
Dipole, Da:	1.74
IP(EA), eV:	-9.35(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(2-benzylphenyl)-3-oxobutanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(=C)C1=CC=CC=C1CC2=CC=CC=C2

DOS

IR

Vibrations