Geometry & MOs

Info

ID:	383754
PubChem CID:	134975660
Reduced:	SO3C9H10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-66.51
Dipole, Da:	5.03
IP(EA), eV:	-10.08(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1,1-dimethoxyethyl)bicyclo[4.2.0]octa-1,3,5-trien-7-ol

Drug info:

PubChemData

Smile

CS(=O)(=O)[C@@H]1[C@@H](O1)C2=CC=CC=C2

DOS

IR

Vibrations