Geometry & MOs

Info

ID:	13010
PubChem CID:	219960
Reduced:	O3H14C16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	254.094294
ΔH_f, kcal/mol:	-76.27
Dipole, Da:	3.13
IP(EA), eV:	-9.53(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-phenylphenyl)ethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

DOS

IR

Vibrations