Geometry & MOs

Info

ID:	389941
PubChem CID:	134996146
Reduced:	O3H4N4C7 (1)
Stoich.:	A3B4C4D7 (1)
Weight, g/mol:	206.016829
ΔH_f, kcal/mol:	109.51
Dipole, Da:	10.28
IP(EA), eV:	-10.26(-2.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-chloro-2-methyl-4-methylsulfonylhexa-1,3,5-triene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)[N+]#N.[N+](=O)([O-])[O-]

DOS

IR

Vibrations