Geometry & MOs

Info

ID:	124246
PubChem CID:	50876102
Reduced:	O3H16C17 (1)
Stoich.:	A3B16C17 (1)
Weight, g/mol:	288.055322
ΔH_f, kcal/mol:	-79.23
Dipole, Da:	2.54
IP(EA), eV:	-9.7(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-1-oxopropan-2-yl] benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations