Geometry & MOs

Info

ID:	231920
PubChem CID:	87574912
Reduced:	BrH9C13 (1)
Stoich.:	AB9C13 (1)
Weight, g/mol:	222.019809
ΔH_f, kcal/mol:	102.41
Dipole, Da:	2.34
IP(EA), eV:	-9.26(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-oxo-1,3-dioxolan-4-yl)methyl]cyclopropane-1-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC(C=C1)C#CC2=CC=C(C=C2)Br

DOS

IR

Vibrations