Geometry & MOs

Info

ID:	292784
PubChem CID:	117358750
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-102.48
Dipole, Da:	2.12
IP(EA), eV:	-8.84(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2,5-dimethoxyphenyl)butanal

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations