Geometry & MOs

Info

ID:	260061
PubChem CID:	103179492
Reduced:	FNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	-107.04
Dipole, Da:	4.62
IP(EA), eV:	-9.45(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

COCCCOCCOCC1=CC(=CC(=C1)F)C#CCN

DOS

IR

Vibrations