Geometry & MOs

Info

ID:	284899
PubChem CID:	104081521
Reduced:	BrNOSC11H18 (1)
Stoich.:	ABCDE11F18 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-21.66
Dipole, Da:	2.02
IP(EA), eV:	-8.58(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)-4-[[(6-methoxypyridin-3-yl)amino]methyl]-2-methylpyridin-3-ol

Drug info:

PubChemData

Smile

CCSCCCNCCC1=CC=C(O1)Br

DOS

IR

Vibrations