Geometry & MOs

Info

ID:	313163
PubChem CID:	126612347
Reduced:	OC5H8 (4)
Stoich.:	AB5C8 (4)
Weight, g/mol:	418.214409
ΔH_f, kcal/mol:	-186.08
Dipole, Da:	2.96
IP(EA), eV:	-8.84(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6R)-2-methyl-6-(2-methylphenoxy)-3,4-bis(phenylmethoxy)oxane

Drug info:

PubChemData

Smile

CCCCO[C@@H]1C[C@H](OC([C@@H]1OCCCC)C)OC2=CC=CC=C2

DOS

IR

Vibrations