Geometry & MOs

Info

ID:	129250
PubChem CID:	51072061
Reduced:	ClN3C10H16 (1)
Stoich.:	AB3C10D16 (1)
Weight, g/mol:	296.038627
ΔH_f, kcal/mol:	-7.67
Dipole, Da:	4.5
IP(EA), eV:	-8.66(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-nitrophenyl)sulfanylethyl]pyridine;hydrochloride

Drug info:

PubChemData

Smile

CN1CCCC1C2=C(N=CC=C2)N.Cl

DOS

IR

Vibrations