Geometry & MOs

Info

ID:	259759
PubChem CID:	103173774
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	-131.91
Dipole, Da:	2.17
IP(EA), eV:	-9.33(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3,4-dimethoxypyridin-2-yl)methyl-propylamino]acetate

Drug info:

PubChemData

Smile

CCCC1CCC(C(C1)CC2=NC=CC(=C2OC)OC)O

DOS

IR

Vibrations