Geometry & MOs

Info

ID:	340446
PubChem CID:	127262457
Reduced:	BrO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	340.026914
ΔH_f, kcal/mol:	-141.8
Dipole, Da:	3.41
IP(EA), eV:	-9.73(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3,5-dichlorophenoxy)-methoxymethyl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(C=C1O)O)/C=C/Br

DOS

IR

Vibrations