Geometry & MOs

Info

ID:	209313
PubChem CID:	80651563
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	288.129634
ΔH_f, kcal/mol:	-115.26
Dipole, Da:	3.55
IP(EA), eV:	-8.57(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(4-methoxyphenyl)sulfanyl-5-methylpyridin-3-yl]propan-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=NC=C(C=C1C)CNCCOC

DOS

IR

Vibrations