Geometry & MOs

Info

ID:	412531
PubChem CID:	135085426
Reduced:	RhO4C16H26 (2)
Stoich.:	AB4C16D26 (2)
Weight, g/mol:	282.183109
ΔH_f, kcal/mol:	-506.68
Dipole, Da:	36.68
IP(EA), eV:	-9.75(-4.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3,3-dihydroxy-2,2-dimethylpropyl)phenyl]-2,2-dimethylpropane-1,1-diol

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=C(C=C1)CC(C)(C)C(O)O)C(O)O.CC(C)(CC1=CC=C(C=C1)CC(C)(C)C(O)O)C(O)O.[Rh].[Rh]

DOS

IR

Vibrations