Geometry & MOs

Info

ID:	204878
PubChem CID:	80024685
Reduced:	NSC14H27 (1)
Stoich.:	ABC14D27 (1)
Weight, g/mol:	187.139471
ΔH_f, kcal/mol:	-31.47
Dipole, Da:	3.79
IP(EA), eV:	-8.62(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethyl-4-methylpiperidin-1-yl)ethanethiol

Drug info:

PubChemData

Smile

CCC1(CCN(CC1)CC2(CCC2)CS)C

DOS

IR

Vibrations