Geometry & MOs

Info

ID:	293407
PubChem CID:	117387416
Reduced:	ClNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	253.086957
ΔH_f, kcal/mol:	-53.79
Dipole, Da:	6.71
IP(EA), eV:	-8.65(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-chloro-1,3-benzodioxol-4-yl)methyl]piperidine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1Cl)CC#N)OC)OC

DOS

IR

Vibrations