Geometry & MOs

Info

ID:	230122
PubChem CID:	87570254
Reduced:	F2N2O5C27H28 (1)
Stoich.:	A2B2C5D27E28 (1)
Weight, g/mol:	460.188589
ΔH_f, kcal/mol:	-218.5
Dipole, Da:	6.61
IP(EA), eV:	-9.08(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3,5-bis(2,4-dihydroxyphenyl)-1-adamantyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

COC(CNCC(COC1=CC=C(C=C1)/C(=C/C2=CC(=C(C=C2)F)F)/C(=O)N)O)OC3=CC=CC=C3

DOS

IR

Vibrations