Geometry & MOs

Info

ID:	22186
PubChem CID:	596211
Reduced:	OSN2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	194.051384
ΔH_f, kcal/mol:	9.52
Dipole, Da:	5.57
IP(EA), eV:	-9.23(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(methoxymethyl)-4-methyl-2-sulfanylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)S)COC

DOS

IR

Vibrations