Geometry & MOs

Info

ID:	388387
PubChem CID:	134989023
Reduced:	NO2C9H11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	226.048607
ΔH_f, kcal/mol:	-7.19
Dipole, Da:	3.88
IP(EA), eV:	-8.59(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-2,3,5-trimethyl-4-[methylsulfanyl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C/[N+](=C(/C1=CC=CC=C1)\OC)/[O-]

DOS

IR

Vibrations