Geometry & MOs

Info

ID:	260000
PubChem CID:	103179072
Reduced:	ClN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	297.157623
ΔH_f, kcal/mol:	-47.57
Dipole, Da:	4.84
IP(EA), eV:	-8.9(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-2-[2-(3-methoxypropoxy)ethoxy]benzoate

Drug info:

PubChemData

Smile

COCCCOCCNC1=C(C=CC(=C1)Cl)C#N

DOS

IR

Vibrations