Geometry & MOs

Info

ID:	209220
PubChem CID:	80640020
Reduced:	FSN2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	272.13472
ΔH_f, kcal/mol:	-6.32
Dipole, Da:	3.73
IP(EA), eV:	-8.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyridin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)CNCC1=CN=C(C=C1)SC2=CC=CC=C2F

DOS

IR

Vibrations