Geometry & MOs

Info

ID:	412530
PubChem CID:	135085425
Reduced:	ONi2N8C21H21 (1)
Stoich.:	AB2C8D21E21 (1)
Weight, g/mol:	770.17721
ΔH_f, kcal/mol:	288.71
Dipole, Da:	14.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.697640
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[CH-]1N(C=CN1C2=CC=CC=N2)CC3=CC(=N[N-]3)CN4[CH-]N(C=C4)C5=CC=CC=N5.O.[Ni+2].[Ni+3]

DOS

IR

Vibrations