Geometry & MOs

Info

ID:	406331
PubChem CID:	135077255
Reduced:	N4H6C13 (1)
Stoich.:	A4B6C13 (1)
Weight, g/mol:	197.033292
ΔH_f, kcal/mol:	136.01
Dipole, Da:	8.3
IP(EA), eV:	-9.37(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dithiolan-2-yl)-6-methylpyridine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2)C(=NC(=C3)C#N)C#N

DOS

IR

Vibrations