Geometry & MOs

Info

ID:	286287
PubChem CID:	104169991
Reduced:	ON2C5H10 (2)
Stoich.:	AB2C5D10 (2)
Weight, g/mol:	232.056944
ΔH_f, kcal/mol:	-45.05
Dipole, Da:	5.25
IP(EA), eV:	-8.97(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-2-(2-methoxypropylsulfonyl)benzene

Drug info:

PubChemData

Smile

CC(CN1C=NC(=N1)CNCCOC)OC

DOS

IR

Vibrations