Geometry & MOs

Info

ID:	256026
PubChem CID:	103136459
Reduced:	FO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	278.107357
ΔH_f, kcal/mol:	-129.6
Dipole, Da:	2.93
IP(EA), eV:	-9.34(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3-chloroprop-1-ynyl)-3-methylphenoxy]methyl]-5-methyloxolane

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=CC(=CC(=C2)C#CCO)F

DOS

IR

Vibrations