Geometry & MOs

Info

ID:	9393
PubChem CID:	89013
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	-108.49
Dipole, Da:	1.88
IP(EA), eV:	-10.19(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)C1=CN=C(C=C1)C

DOS

IR

Vibrations