Geometry & MOs

Info

ID:	51355
PubChem CID:	12014009
Reduced:	O2C7H10 (3)
Stoich.:	A2B7C10 (3)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	-252.61
Dipole, Da:	2.45
IP(EA), eV:	-9.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4aS,8aS)-2,3-dimethoxy-2-methyl-3-phenyl-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)(CCCOC(=O)C3=CC=CC=C3)OC)OC

DOS

IR

Vibrations