Geometry & MOs

Info

ID:	393455
PubChem CID:	135020628
Reduced:	NS2C8H15 (1)
Stoich.:	AB2C8D15 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	36.06
Dipole, Da:	4.19
IP(EA), eV:	-8.74(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aS)-3,3,3a,7a-tetramethyl-1,4-dihydroindene-2,5-dione

Drug info:

PubChemData

Smile

CCCCN([C@H]1CS1)[C@@H]2CS2

DOS

IR

Vibrations