Geometry & MOs

Info

ID:	21138
PubChem CID:	587321
Reduced:	ClO3H11C15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	274.039672
ΔH_f, kcal/mol:	-77.05
Dipole, Da:	6.36
IP(EA), eV:	-9.62(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetylphenyl) 2-chlorobenzoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations