Geometry & MOs

Info

ID:	230014
PubChem CID:	87569875
Reduced:	O3C10H12 (4)
Stoich.:	A3B10C12 (4)
Weight, g/mol:	384.157288
ΔH_f, kcal/mol:	-247.16
Dipole, Da:	6.37
IP(EA), eV:	-8.65(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2,4,5-trihydroxyphenyl)-2-adamantyl]benzene-1,2,4-triol

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)C3(C4=C(C(=C(C=C4)OCC5CO5)OCC6CO6)OCC7CO7)C8=C(C(=C(C=C8)OCC9CO9)OCC1CO1)OCC1CO1

DOS

IR

Vibrations