Geometry & MOs

Info

ID:	339094
PubChem CID:	127260351
Reduced:	ClN2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	224.060407
ΔH_f, kcal/mol:	15.8
Dipole, Da:	2.96
IP(EA), eV:	-8.58(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorocyclopentyl) benzoate

Drug info:

PubChemData

Smile

CC1=CC(N(N1Cl)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations