Geometry & MOs

Info

ID:	24379
PubChem CID:	609792
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-173.91
Dipole, Da:	3.05
IP(EA), eV:	-9.48(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[1-(5-methylpyridin-2-yl)ethyl]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C)C1=NC=C(C=C1)C)C(=O)OCC

DOS

IR

Vibrations