Geometry & MOs

Info

ID:	411268
PubChem CID:	135084081
Reduced:	OSN2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	206.165723
ΔH_f, kcal/mol:	65.27
Dipole, Da:	3.19
IP(EA), eV:	-8.21(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(E)-3-(dimethylamino)-3-(1-methylpyrrol-3-yl)prop-2-enylidene]-dimethylazanium

Drug info:

PubChemData

Smile

C=CCN1C=C(C=N1)S(=O)C2=CC=CC=C2

DOS

IR

Vibrations