Geometry & MOs

Info

ID:	247808
PubChem CID:	103073321
Reduced:	NSC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	213.155121
ΔH_f, kcal/mol:	-16.23
Dipole, Da:	3.36
IP(EA), eV:	-8.76(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CC1(CCN(CC1)CC(=C)CS)C

DOS

IR

Vibrations