Geometry & MOs

Info

ID:	7490
PubChem CID:	73118
Reduced:	O8C23H26 (1)
Stoich.:	A8B23C26 (1)
Weight, g/mol:	430.162768
ΔH_f, kcal/mol:	-252.9
Dipole, Da:	4.02
IP(EA), eV:	-8.62(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3R,3aR,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCO2)[C@H]3[C@H]4CO[C@H]([C@H]4CO3)C5=CC(=C(C(=C5)OC)OC)OC

DOS

IR

Vibrations