Geometry & MOs

Info

ID:	256027
PubChem CID:	103136497
Reduced:	ClO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	296.097936
ΔH_f, kcal/mol:	-57.87
Dipole, Da:	5.14
IP(EA), eV:	-8.7(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-chlorobut-1-ynyl)-2-fluorophenoxy]methyl]-5-methyloxolane

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=CC(=C(C=C2)C#CCCl)C

DOS

IR

Vibrations