Geometry & MOs

Info

ID:	178317
PubChem CID:	76310171
Reduced:	O3C11H13 (2)
Stoich.:	A3B11C13 (2)
Weight, g/mol:	386.172939
ΔH_f, kcal/mol:	-186.81
Dipole, Da:	3.62
IP(EA), eV:	-8.31(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2R,3R,4S,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-4-methoxy-1,3-benzodioxole

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H](O[C@H]1C2=CC(=C(C=C2)OC)OC)C3=CC4=C(C(=C3)OC)OCO4)C

DOS

IR

Vibrations