Geometry & MOs

Info

ID:	3807
PubChem CID:	10237
Reduced:	NO6H17C20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	367.105587
ΔH_f, kcal/mol:	-152.88
Dipole, Da:	5.27
IP(EA), eV:	-8.67(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one

Drug info:

PubChemData

Smile

CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3

DOS

IR

Vibrations