Geometry & MOs

Info

ID:	196365
PubChem CID:	78815046
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	243.108171
ΔH_f, kcal/mol:	39.09
Dipole, Da:	5.68
IP(EA), eV:	-8.81(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dimethylphenyl)sulfanylethyl]pyridine

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NCC#C)C2=CC=C(C=C2)OC

DOS

IR

Vibrations