Geometry & MOs

Info

ID:	341478
PubChem CID:	127264171
Reduced:	BrClON2C9H14 (1)
Stoich.:	ABCD2E9F14 (1)
Weight, g/mol:	199.040006
ΔH_f, kcal/mol:	-53.8
Dipole, Da:	2.99
IP(EA), eV:	-9.26(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-chloro-6-methylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCC(CN1)C2=NC(=CO2)Br.Cl

DOS

IR

Vibrations