Geometry & MOs

Info

ID:	259941
PubChem CID:	103177985
Reduced:	ClN2O3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	303.077658
ΔH_f, kcal/mol:	-102.24
Dipole, Da:	3.03
IP(EA), eV:	-9.66(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[2-(3-methoxypropoxy)ethoxy]-4-nitrothiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

COCCCOCCOCC1=C(C=C(C=C1)C(=N)N)Cl

DOS

IR

Vibrations