Geometry & MOs

Info

ID:	13168
PubChem CID:	222370
Reduced:	ClOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	232.005785
ΔH_f, kcal/mol:	-89.74
Dipole, Da:	3.23
IP(EA), eV:	-9.81(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloropropan-2-yl 2-chlorobenzoate

Drug info:

PubChemData

Smile

CC(CCl)OC(=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations