Geometry & MOs

Info

ID:	292792
PubChem CID:	117358869
Reduced:	ClN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-73.96
Dipole, Da:	6.75
IP(EA), eV:	-9.16(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propanal

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations