Geometry & MOs

Info

ID:	163579
PubChem CID:	58036996
Reduced:	SF4O4C10H17 (1)
Stoich.:	AB4C4D10E17 (1)
Weight, g/mol:	304.24023
ΔH_f, kcal/mol:	-335.96
Dipole, Da:	0.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768990
Charge, e:	0

Chem-info

IUPAC name:

1-butan-2-yl-4-[1-(3-cyclopentylpropoxy)ethoxy]benzene

Drug info:

PubChemData

Smile

C(CCCCO)CCCC(C(F)(F)S(=O)(=O)[O-])(F)F

DOS

IR

Vibrations