Geometry & MOs

Info

ID:	386310
PubChem CID:	134981345
Reduced:	MnO2H5C7 (1)
Stoich.:	AB2C5D7 (1)
Weight, g/mol:	249.064592
ΔH_f, kcal/mol:	20.3
Dipole, Da:	1.05
IP(EA), eV:	-7.24(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dithian-2-yl)-1-methylindole

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].C1=C[CH]C=C1.[Mn]

DOS

IR

Vibrations