Geometry & MOs

Info

ID:	18936
PubChem CID:	551159
Reduced:	NO5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	333.157623
ΔH_f, kcal/mol:	-159.37
Dipole, Da:	3.27
IP(EA), eV:	-8.94(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-6-methoxy-1-methyl-3,6,7,7a-tetrahydro-2H-indol-3-ol

Drug info:

PubChemData

Smile

CN1CC(C2(C1CC(C=C2)OC)C3=CC4=C(C=C3CO)OCO4)O

DOS

IR

Vibrations