Geometry & MOs

Info

ID:	216257
PubChem CID:	85085957
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	246.09258
ΔH_f, kcal/mol:	-39.93
Dipole, Da:	6.89
IP(EA), eV:	-8.55(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6,8a-trimethyl-1,1-dioxo-4,6,7,8-tetrahydro-3H-2,1lambda6-benzoxathiin-7-ol

Drug info:

PubChemData

Smile

CN1CCCNC1=CC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations