Geometry & MOs

Info

ID:	412178
PubChem CID:	135085052
Reduced:	ClOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	152.029586
ΔH_f, kcal/mol:	-22.51
Dipole, Da:	3.89
IP(EA), eV:	-9.6(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1,3-oxathietane

Drug info:

PubChemData

Smile

CCCCCCC#CC(C1=CC=CC=C1Cl)O

DOS

IR

Vibrations