Geometry & MOs

Info

ID:	392111
PubChem CID:	135013030
Reduced:	O5C22H22 (1)
Stoich.:	A5B22C22 (1)
Weight, g/mol:	344.081537
ΔH_f, kcal/mol:	-131.12
Dipole, Da:	2.79
IP(EA), eV:	-9.42(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-chlorobenzoyl)-5-oxo-5-phenylpentanoate

Drug info:

PubChemData

Smile

COC(=O)C(=C)C(C1=CC=CC=C1)OC/C(=C\C2=CC=CC=C2)/C(=O)OC

DOS

IR

Vibrations