Geometry & MOs

Info

ID:	293454
PubChem CID:	117389941
Reduced:	ClO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	254.070972
ΔH_f, kcal/mol:	-120.27
Dipole, Da:	3.83
IP(EA), eV:	-9.92(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)propanal

Drug info:

PubChemData

Smile

CCC(CC)C1=C(C=C(C=C1)C(=O)C(=O)O)Cl

DOS

IR

Vibrations