Geometry & MOs

Info

ID:	10567
PubChem CID:	104482
Reduced:	ClO3H8C9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	398.032394
ΔH_f, kcal/mol:	-213.91
Dipole, Da:	3.75
IP(EA), eV:	-9.5(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chloro-4-[2-(2-chloro-4-methoxycarbonylphenoxy)ethoxy]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2)C(=O)OC)Cl)Cl

DOS

IR

Vibrations