Geometry & MOs

Info

ID:	337045
PubChem CID:	127256610
Reduced:	ClOC11H19 (1)
Stoich.:	ABC11D19 (1)
Weight, g/mol:	204.128093
ΔH_f, kcal/mol:	-90.93
Dipole, Da:	2.02
IP(EA), eV:	-9.76(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-chloro-3-hexyloxane

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@H]2COCC[C@@H]2Cl

DOS

IR

Vibrations