Geometry & MOs

Info

ID:	294981
PubChem CID:	117510426
Reduced:	BrO5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	327.99464
ΔH_f, kcal/mol:	-169.52
Dipole, Da:	4.92
IP(EA), eV:	-9.33(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=CC(=C2C(=C1C)OCCO2)Br

DOS

IR

Vibrations