Geometry & MOs

Info

ID:	440259
PubChem CID:	135230190
Reduced:	SN6C16H18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	231.071785
ΔH_f, kcal/mol:	104.59
Dipole, Da:	0.9
IP(EA), eV:	-8.56(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylphenyl)sulfanyloxymethyl]pyridine

Drug info:

PubChemData

Smile

CNC1=CC=CC(=N1)CSC2=NC3=CC=CC=C3N2C(=NC)N

DOS

IR

Vibrations