Geometry & MOs

Info

ID:	260036
PubChem CID:	103179292
Reduced:	ClNO4C13H18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	268.142307
ΔH_f, kcal/mol:	-166.28
Dipole, Da:	2.04
IP(EA), eV:	-8.81(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxypropoxy)ethyl 5-amino-2-methylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

COCCCOCCOC(=O)C1=C(C(=CC=C1)Cl)N

DOS

IR

Vibrations