Geometry & MOs

Info

ID:	337039
PubChem CID:	127256604
Reduced:	O2S2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	252.091708
ΔH_f, kcal/mol:	-103.15
Dipole, Da:	2.46
IP(EA), eV:	-8.34(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(E)-3-chloroprop-1-enyl]phenoxy]oxane

Drug info:

PubChemData

Smile

CS/C=C/C(CCCOC1CCCCO1)SC

DOS

IR

Vibrations