Geometry & MOs

Info

ID:	204836
PubChem CID:	80015775
Reduced:	NOSC14H25 (1)
Stoich.:	ABCD14E25 (1)
Weight, g/mol:	263.170771
ΔH_f, kcal/mol:	-40.89
Dipole, Da:	2.36
IP(EA), eV:	-8.71(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperidin-1-yl)-2-phenylpropane-1-thiol

Drug info:

PubChemData

Smile

CCC(CC)(CN(C)CC1=C(OC=C1)C)CS

DOS

IR

Vibrations