Geometry & MOs

Info

ID:	14408
PubChem CID:	410838
Reduced:	NSC21H23 (1)
Stoich.:	ABC21D23 (1)
Weight, g/mol:	321.155121
ΔH_f, kcal/mol:	59.31
Dipole, Da:	3.47
IP(EA), eV:	-8.0(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-benzylsulfanyl-2,6-dimethyl-2H-pyridine

Drug info:

PubChemData

Smile

CC1C=C(C=C(N1CC2=CC=CC=C2)C)SCC3=CC=CC=C3

DOS

IR

Vibrations