Geometry & MOs

Info

ID:	8580
PubChem CID:	79257
Reduced:	ClO2H7C8 (1)
Stoich.:	AB2C7D8 (1)
Weight, g/mol:	170.013457
ΔH_f, kcal/mol:	-67.63
Dipole, Da:	3.32
IP(EA), eV:	-10.26(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chloromethyl benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCCl

DOS

IR

Vibrations