Geometry & MOs

Info

ID:	259697
PubChem CID:	103172130
Reduced:	ClN2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-61.92
Dipole, Da:	6.7
IP(EA), eV:	-7.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxypyridin-2-yl)methyl]-4-ethylaniline

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NCC2=NC=CC(=C2OC)OC)Cl

DOS

IR

Vibrations