Geometry & MOs

Info

ID:	292783
PubChem CID:	117358722
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-96.73
Dipole, Da:	5.49
IP(EA), eV:	-8.98(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-2,3-dimethoxyphenyl)butanal

Drug info:

PubChemData

Smile

COCC1=CC(=C(C=C1C2(CC2)O)Cl)OC

DOS

IR

Vibrations