Geometry & MOs

Info

ID:	294025
PubChem CID:	117422752
Reduced:	ClNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	267.066221
ΔH_f, kcal/mol:	-74.49
Dipole, Da:	2.9
IP(EA), eV:	-9.43(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=C(C(=CC(=C1)Cl)OC)C2(CC2)N=C=O

DOS

IR

Vibrations