Geometry & MOs

Info

ID:	57729
PubChem CID:	24276857
Reduced:	SN2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	248.13472
ΔH_f, kcal/mol:	22.63
Dipole, Da:	3.79
IP(EA), eV:	-8.58(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-2-piperidin-1-ylethanethioamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C(=S)N)N2CCCC2

DOS

IR

Vibrations