Geometry & MOs

Info

ID:	52858
PubChem CID:	14709093
Reduced:	OC6F12 (1)
Stoich.:	AB6C12 (1)
Weight, g/mol:	227.051718
ΔH_f, kcal/mol:	-645.48
Dipole, Da:	1.27
IP(EA), eV:	-12.97(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-5-pyridin-4-ylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1(C(C(OC1(C(F)(F)F)C(F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations