Geometry & MOs

Info

ID:	47914
PubChem CID:	10535814
Reduced:	OSN2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	16.26
Dipole, Da:	5.23
IP(EA), eV:	-8.79(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,8-trimethylspiro[4.4]nonane-1,4-dione

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(S2)C#N

DOS

IR

Vibrations