Geometry & MOs

Info

ID:

340779

PubChem CID:

127262791

Reduced:

OPC26H32 (2)

Stoich.:

ABC26D32 (2)

Weight, g/mol:

676.477304

ΔHf, kcal/mol:

-109.98

Dipole, Da:

4.61

IP(EA), eV:

 -8.31(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dicyclohexyl-[1-[2-[(3,5-ditert-butylphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]phosphane

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C23CC4CC(C2)CC(C4)C3)O)C[P@@](CCCC[P@](CC5=C(C(=CC(=C5)C)C67CC8CC(C6)CC(C8)C7)O)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations