Geometry & MOs

Info

ID:	204833
PubChem CID:	80015613
Reduced:	NOSC17H17 (1)
Stoich.:	ABCD17E17 (1)
Weight, g/mol:	229.186421
ΔH_f, kcal/mol:	11.07
Dipole, Da:	1.57
IP(EA), eV:	-8.67(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[cyclohexylmethyl(methyl)amino]pentane-1-thiol

Drug info:

PubChemData

Smile

C1CC(C1)(CN2C3=CC=CC4=C3C(=CC=C4)C2=O)CS

DOS

IR

Vibrations