Geometry & MOs

Info

ID:	204837
PubChem CID:	80015776
Reduced:	NSC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	229.186421
ΔH_f, kcal/mol:	-4.0
Dipole, Da:	2.61
IP(EA), eV:	-8.64(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-ethylpiperidin-1-yl)-3-methylpentane-1-thiol

Drug info:

PubChemData

Smile

CCC1CCN(CC1)CC(CS)C2=CC=CC=C2

DOS

IR

Vibrations