Geometry & MOs

Info

ID:	259957
PubChem CID:	103178666
Reduced:	NF3O4C12H20 (1)
Stoich.:	AB3C4D12E20 (1)
Weight, g/mol:	253.134779
ΔH_f, kcal/mol:	-338.34
Dipole, Da:	4.11
IP(EA), eV:	-9.76(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methoxypropoxy)ethyl]-3-methylsulfonylpropan-1-amine

Drug info:

PubChemData

Smile

COCCCOCCOC(=O)C1(CCNC1)C(F)(F)F

DOS

IR

Vibrations