Geometry & MOs

Info

ID:	199566
PubChem CID:	79267106
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	288.093249
ΔH_f, kcal/mol:	-2.51
Dipole, Da:	2.34
IP(EA), eV:	-8.72(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-[(6-methylpyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=NO)C1=CC=C(C=C1)OCC2=CC=CC(=N2)C

DOS

IR

Vibrations