Geometry & MOs

Info

ID:	282153
PubChem CID:	103917533
Reduced:	NOSC17H27 (1)
Stoich.:	ABCD17E27 (1)
Weight, g/mol:	282.176585
ΔH_f, kcal/mol:	-60.07
Dipole, Da:	3.78
IP(EA), eV:	-8.18(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-3-[1-(2,4,6-trimethylpyridin-3-yl)ethylamino]butan-1-ol

Drug info:

PubChemData

Smile

CC1(CCC2=CC=CC=C2C1NCC(C)(CSC)O)C

DOS

IR

Vibrations