Geometry & MOs

Info

ID:	400123
PubChem CID:	135045725
Reduced:	FOSN2H9C14 (1)
Stoich.:	ABCD2E9F14 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-9.34
Dipole, Da:	5.06
IP(EA), eV:	-8.52(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(2-methylpyridin-3-yl)propanedioate

Drug info:

PubChemData

Smile

C1=CC2=NC=C(C(=O)N2C=C1)SC3=CC=C(C=C3)F

DOS

IR

Vibrations