Geometry & MOs

Info

ID:

412528

PubChem CID:

135085423

Reduced:

NPPdO2C20H39 (1)

Stoich.:

ABCD2E20F39 (1)

Weight, g/mol:

634.185038

ΔHf, kcal/mol:

-38.8

Dipole, Da:

2.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763688

Charge, e:

 0

Chem-info

IUPAC name:

tri(pyren-1-yl)phosphane

Drug info:

PubChemData

Smile

[CH3-].CC[PH+](CC)CC.CC(CC(C)O)[N-]CC1=CC=CC=C1OC.[Pd+2]

DOS

IR

Vibrations