Geometry & MOs

Info

ID:	178316
PubChem CID:	76310170
Reduced:	O6C21H26 (1)
Stoich.:	A6B21C26 (1)
Weight, g/mol:	386.172939
ΔH_f, kcal/mol:	-205.74
Dipole, Da:	2.69
IP(EA), eV:	-8.25(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC(=C(C=C1OC)OC)O)[C@H](C)CC2=CC3=C(C=C2O)OCO3

DOS

IR

Vibrations