Geometry & MOs

Info

ID:	313162
PubChem CID:	126612341
Reduced:	O3C10H21 (2)
Stoich.:	A3B10C21 (2)
Weight, g/mol:	336.23006
ΔH_f, kcal/mol:	-323.01
Dipole, Da:	1.39
IP(EA), eV:	-9.63(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R,6R)-3,4-dibutoxy-2-methyl-6-phenoxyoxane

Drug info:

PubChemData

Smile

CCCCOC[C@@H]([C@@H](OC)OC(COCCCC)[C@H](C)O)OCCCC

DOS

IR

Vibrations