Geometry & MOs

Info

ID:	209219
PubChem CID:	80640019
Reduced:	SCl2N2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	290.125298
ΔH_f, kcal/mol:	28.21
Dipole, Da:	5.21
IP(EA), eV:	-8.85(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(2-fluorophenyl)sulfanylpyridin-3-yl]methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CCNCC1=CN=C(C(=C1)C)SC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations