Geometry & MOs

Info

ID:	448294
PubChem CID:	135289960
Reduced:	ClN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	253.131408
ΔH_f, kcal/mol:	-64.41
Dipole, Da:	7.24
IP(EA), eV:	-8.45(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(dimethylamino)ethoxy]-3,4-dimethoxybenzaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC(=CC=C2)Cl)N3CCOCC3

DOS

IR

Vibrations