Geometry & MOs

Info

ID:	25243
PubChem CID:	621390
Reduced:	NH8C9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	260.024022
ΔH_f, kcal/mol:	86.3
Dipole, Da:	1.09
IP(EA), eV:	-8.47(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-1,3-benzodioxole-5-carbaldehyde

Drug info:

PubChemData

Smile

C1CC2=CN=CC(=N2)CCC3=CC=CC4=C1C=CC=C34

DOS

IR

Vibrations