Geometry & MOs

Info

ID:	337042
PubChem CID:	127256607
Reduced:	ClOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	176.096793
ΔH_f, kcal/mol:	-88.51
Dipole, Da:	1.48
IP(EA), eV:	-9.99(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations