Geometry & MOs

Info

ID:	339116
PubChem CID:	127260495
Reduced:	ClNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	250.019685
ΔH_f, kcal/mol:	-46.14
Dipole, Da:	4.05
IP(EA), eV:	-10.32(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-3-fluorophenyl) benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCCC(C#N)Cl

DOS

IR

Vibrations