Geometry & MOs

Info

ID:	388782
PubChem CID:	134990189
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	430.126382
ΔH_f, kcal/mol:	-5.85
Dipole, Da:	4.13
IP(EA), eV:	-8.16(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5aS,8aR,9R)-5,6-dihydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

Drug info:

PubChemData

Smile

CN1CC2=C3C(=C(C=C2)OC)O[C@@H]4[C@]3(C=CCC4)C=C1

DOS

IR

Vibrations