Geometry & MOs

Info

ID:	247762
PubChem CID:	103073178
Reduced:	NSC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	199.139471
ΔH_f, kcal/mol:	21.33
Dipole, Da:	1.6
IP(EA), eV:	-8.01(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N(C1)CC(=C)CS

DOS

IR

Vibrations