Geometry & MOs

Info

ID:	262369
PubChem CID:	103288599
Reduced:	ClSN2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	306.095748
ΔH_f, kcal/mol:	51.84
Dipole, Da:	4.16
IP(EA), eV:	-9.05(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(2-chlorophenyl)methylsulfanyl]pyridin-2-yl]-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CSCC2=CC=CC=C2Cl)C(=N)N

DOS

IR

Vibrations