Geometry & MOs

Info

ID:

340778

PubChem CID:

127262790

Reduced:

OPC30H40 (2)

Stoich.:

ABC30D40 (2)

Weight, g/mol:

782.438155

ΔHf, kcal/mol:

-162.25

Dipole, Da:

3.91

IP(EA), eV:

 -8.34(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(1-adamantyl)-6-[[4-[[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]methyl-phenylphosphanyl]butyl-phenylphosphanyl]methyl]-4-methylphenol

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)C4=CC(=CC(=C4O)C[P@@](CC[P@](CC5=C(C(=CC(=C5)C(C)(C)C)C67CC8CC(C6)(CC(C8)(C7)C)C)O)C9=CC=CC=C9)C1=CC=CC=C1)C(C)(C)C)C

DOS

IR

Vibrations