Geometry & MOs

Info

ID:	337046
PubChem CID:	127256611
Reduced:	ClOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	204.128093
ΔH_f, kcal/mol:	-98.21
Dipole, Da:	1.46
IP(EA), eV:	-9.98(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC[C@H]1COCC[C@H]1Cl

DOS

IR

Vibrations