Geometry & MOs

Info

ID:	16571
PubChem CID:	472972
Reduced:	NSC13H13 (1)
Stoich.:	ABC13D13 (1)
Weight, g/mol:	215.076871
ΔH_f, kcal/mol:	44.01
Dipole, Da:	0.91
IP(EA), eV:	-8.6(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylphenyl)methylsulfanyl]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CSC2=CC=CC=N2

DOS

IR

Vibrations