Geometry & MOs

Info

ID:	294356
PubChem CID:	117454332
Reduced:	ClO4C14H15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	282.07712
ΔH_f, kcal/mol:	-136.53
Dipole, Da:	7.15
IP(EA), eV:	-9.06(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-7-(piperazin-1-ylmethyl)-1,3-benzodioxole-4-carbaldehyde

Drug info:

PubChemData

Smile

C1CC12COC3=C(C(=CC(=C3)CCC(=O)O)Cl)OC2

DOS

IR

Vibrations