Geometry & MOs

Info

ID:	19650
PubChem CID:	569606
Reduced:	OH4C5 (3)
Stoich.:	AB4C5 (3)
Weight, g/mol:	240.078644
ΔH_f, kcal/mol:	-69.48
Dipole, Da:	6.14
IP(EA), eV:	-9.63(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetylphenyl) benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations