Geometry & MOs

Info

ID:	209779
PubChem CID:	80721677
Reduced:	ClNOSC17H20 (1)
Stoich.:	ABCDE17F20 (1)
Weight, g/mol:	242.18167
ΔH_f, kcal/mol:	4.7
Dipole, Da:	1.96
IP(EA), eV:	-9.15(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-1-[(2-methylthiolan-2-yl)methyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)CNC2CC2)COCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations