Geometry & MOs

Info

ID:	271915
PubChem CID:	103699725
Reduced:	NOSC16H25 (1)
Stoich.:	ABCD16E25 (1)
Weight, g/mol:	233.177964
ΔH_f, kcal/mol:	-38.45
Dipole, Da:	3.04
IP(EA), eV:	-8.4(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-methylphenyl)methylamino]methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

COCC1=CC=CC(=C1)CNC2CCCCC2SC

DOS

IR

Vibrations