Geometry & MOs

Info

ID:	294026
PubChem CID:	117422830
Reduced:	ClNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	267.066221
ΔH_f, kcal/mol:	-89.67
Dipole, Da:	4.09
IP(EA), eV:	-9.09(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-7-piperidin-2-yl-1,3-benzodioxole-4-carbaldehyde

Drug info:

PubChemData

Smile

C1CC(CNC1)C2=C(C=C(C3=C2OCO3)C=O)Cl

DOS

IR

Vibrations