Geometry & MOs

Info

ID:	293455
PubChem CID:	117389953
Reduced:	ClO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	254.070972
ΔH_f, kcal/mol:	-107.3
Dipole, Da:	1.27
IP(EA), eV:	-8.77(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)propanal

Drug info:

PubChemData

Smile

CC(C)C1=C2C(=CC(=C1CCC=O)Cl)OCO2

DOS

IR

Vibrations