Geometry & MOs

Info

ID:	51352
PubChem CID:	12014006
Reduced:	OC4H6 (5)
Stoich.:	AB4C6 (5)
Weight, g/mol:	364.188589
ΔH_f, kcal/mol:	-203.99
Dipole, Da:	1.23
IP(EA), eV:	-9.34(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,3R,4aS,8aS)-2,3-dimethoxy-2-methyl-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]dioxin-3-yl]ethyl benzoate

Drug info:

PubChemData

Smile

C[C@@]1([C@](O[C@H]2CCCC[C@@H]2O1)(CCOCC3=CC=CC=C3)OC)OC

DOS

IR

Vibrations