Geometry & MOs

Info

ID:	126190
PubChem CID:	50954998
Reduced:	ON4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	347.141596
ΔH_f, kcal/mol:	35.35
Dipole, Da:	8.08
IP(EA), eV:	-9.29(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CCN(CC)C(CN1C=NN=C1)C2=CC=CO2

DOS

IR

Vibrations