Geometry & MOs

Info

ID:	387670
PubChem CID:	134986400
Reduced:	INC12H16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	288.019911
ΔH_f, kcal/mol:	45.0
Dipole, Da:	3.75
IP(EA), eV:	-8.64(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-acetyloxy-1,3-dichloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;chloride

Drug info:

PubChemData

Smile

CC/C(=C(\N(C)C)/I)/C1=CC=CC=C1

DOS

IR

Vibrations