Geometry & MOs

Info

ID:	247807
PubChem CID:	103073320
Reduced:	NSC14H25 (1)
Stoich.:	ABC14D25 (1)
Weight, g/mol:	199.139471
ΔH_f, kcal/mol:	-21.34
Dipole, Da:	3.19
IP(EA), eV:	-8.77(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,4-dimethylpiperidin-1-yl)methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

C=C(CN1CCC2(CCCCC2)CC1)CS

DOS

IR

Vibrations