Geometry & MOs

Info

ID:	381462
PubChem CID:	134972213
Reduced:	YO5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	358.178024
ΔH_f, kcal/mol:	-163.39
Dipole, Da:	4.1
IP(EA), eV:	-4.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,10bS,12S,12aR)-1,2,8-trihydroxy-2,11,11,12-tetramethyl-1,3,4a,10b,12,12a-hexahydronaphtho[1,2-c]chromen-4-one

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2[C@H]([C@](CC(=O)[C-]2C3=COC4=C([C@H]3C1(C)C)C=CC(=C4)O)(C)O)O.[Y]

DOS

IR

Vibrations