Geometry & MOs

Info

ID:	52860
PubChem CID:	14709095
Reduced:	SN3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	255.083019
ΔH_f, kcal/mol:	90.04
Dipole, Da:	3.44
IP(EA), eV:	-9.05(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCSC1=C(C=C(C=N1)C2=CC=NC=C2)C#N

DOS

IR

Vibrations