Geometry & MOs

Info

ID:	51353
PubChem CID:	12014007
Reduced:	O3C10H14 (2)
Stoich.:	A3B10C14 (2)
Weight, g/mol:	364.224974
ΔH_f, kcal/mol:	-249.91
Dipole, Da:	2.24
IP(EA), eV:	-9.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4aS,8aS)-2,3-dimethoxy-2-methyl-3-(3-phenylmethoxypropyl)-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]dioxine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations