Geometry & MOs

Info

ID:	295814
PubChem CID:	117544785
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	224.087101
ΔH_f, kcal/mol:	-135.76
Dipole, Da:	6.93
IP(EA), eV:	-8.85(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropane-1-thiol

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)CC/C=C/C(=O)O)OC1

DOS

IR

Vibrations