Geometry & MOs

Info

ID:	259928
PubChem CID:	103177685
Reduced:	ClNO3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-94.36
Dipole, Da:	1.73
IP(EA), eV:	-8.77(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methoxypropoxy)ethoxy]-4,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

COCCCOCCOC1=C(C=C(C=C1)CNC2CC2)Cl

DOS

IR

Vibrations