Geometry & MOs

Info

ID:	148116
PubChem CID:	53787778
Reduced:	BrNOC18H20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	235.141973
ΔH_f, kcal/mol:	4.65
Dipole, Da:	2.34
IP(EA), eV:	-8.83(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5S)-2-(butylaminooxymethyl)-5-methyloxolane-2,3,4-triol

Drug info:

PubChemData

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CN1CC[C@H]([C@H](C1)C2=CC=CC=C2)OC3=CC=C(C=C3)Br

DOS

IR

Vibrations