Geometry & MOs

Info

ID:	247752
PubChem CID:	103073155
Reduced:	NSC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	227.170771
ΔH_f, kcal/mol:	-14.82
Dipole, Da:	3.14
IP(EA), eV:	-8.73(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butylpiperidin-1-yl)methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CC1CCN(C(C1)C)CC(=C)CS

DOS

IR

Vibrations