Geometry & MOs

Info

ID:	260223
PubChem CID:	103185178
Reduced:	INO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	287.119129
ΔH_f, kcal/mol:	-125.25
Dipole, Da:	4.28
IP(EA), eV:	-8.77(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methoxypropoxy)ethylsulfonyl]-5-methylaniline

Drug info:

PubChemData

Smile

COCCCOCCN1C(=O)COC2=C1C=CC(=C2)I

DOS

IR

Vibrations