Geometry & MOs

Info

ID:	234463
PubChem CID:	92298482
Reduced:	O5C6H11 (2)
Stoich.:	A5B6C11 (2)
Weight, g/mol:	288.20893
ΔH_f, kcal/mol:	-445.9
Dipole, Da:	3.71
IP(EA), eV:	-10.01(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,3bR,5aS,6R,8aS,8bS)-6-hydroxy-3a,5a,6-trimethyl-3,3b,4,5,7,8,8a,8b,9,10-decahydroindeno[5,4-e]inden-2-one

Drug info:

PubChemData

Smile

C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@@H]([C@@H](O[C@@H]([C@@H]2O)O)CO)O)O)O)O

DOS

IR

Vibrations