Geometry & MOs

Info

ID:	388687
PubChem CID:	134989881
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	443.7489
ΔH_f, kcal/mol:	-20.1
Dipole, Da:	3.56
IP(EA), eV:	-9.25(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1,3,2-benzodithiastibol-3-ium;tetrachloroalumanuide

Drug info:

PubChemData

Smile

CCCC(=O)C(=O)C1=CN=C(N1)C2=CC=CC=C2

DOS

IR

Vibrations