Geometry & MOs

Info

ID:	247800
PubChem CID:	103073294
Reduced:	SN2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	199.139471
ΔH_f, kcal/mol:	43.06
Dipole, Da:	2.0
IP(EA), eV:	-8.88(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-ethylpiperidin-1-yl)methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=N1)CC(=C)CS

DOS

IR

Vibrations