Geometry & MOs

Info

ID:	54939
PubChem CID:	17389569
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	229.086957
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	3.98
IP(EA), eV:	-8.4(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(dimethylamino)methyl]-4-methoxybenzaldehyde;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)O.C1=CC=C(C=C1)C(CN)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations