Geometry & MOs

Info

ID:	404755
PubChem CID:	135070520
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	254.070972
ΔH_f, kcal/mol:	-104.1
Dipole, Da:	1.95
IP(EA), eV:	-9.79(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-chlorophenyl)-2-oxopentanoate

Drug info:

PubChemData

Smile

C/C(=C(\CO)/C(=O)OC)/C1=CC=CC=C1

DOS

IR

Vibrations