Geometry & MOs

Info

ID:	271604
PubChem CID:	103685622
Reduced:	SN2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	267.1293
ΔH_f, kcal/mol:	13.67
Dipole, Da:	1.53
IP(EA), eV:	-8.58(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2-methylsulfanylcyclohexyl)amino]methyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

CSC1CCCCC1NCC2=CN=CC=C2

DOS

IR

Vibrations