Geometry & MOs

Info

ID:	337041
PubChem CID:	127256606
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	176.096793
ΔH_f, kcal/mol:	-133.23
Dipole, Da:	3.28
IP(EA), eV:	-9.64(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-butyl-4-chlorooxane

Drug info:

PubChemData

Smile

C=CC[C@H]1CCOC[C@@H]1CC2OCCO2

DOS

IR

Vibrations