Geometry & MOs

Info

ID:	382158
PubChem CID:	134973128
Reduced:	O7C13H20 (1)
Stoich.:	A7B13C20 (1)
Weight, g/mol:	336.193674
ΔH_f, kcal/mol:	-347.32
Dipole, Da:	2.69
IP(EA), eV:	-10.41(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,8R,8aR)-8-(methoxymethoxy)-2,2-dimethyl-6-phenylmethoxy-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine

Drug info:

PubChemData

Smile

CC(=O)OCC1C[C@H](C[C@H]([C@@H]1OC(=O)C)O)OC(=O)C

DOS

IR

Vibrations