Geometry & MOs

Info

ID:	260103
PubChem CID:	103181342
Reduced:	ClN2O4C11H15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	301.108086
ΔH_f, kcal/mol:	-117.33
Dipole, Da:	4.33
IP(EA), eV:	-9.88(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxypropoxy)ethyl 2-chloro-6-ethylpyridine-4-carboxylate

Drug info:

PubChemData

Smile

COCCCOCCOC(=O)C1=NN=C(C=C1)Cl

DOS

IR

Vibrations