Geometry & MOs

Info

ID:	412598
PubChem CID:	135085495
Reduced:	ClPdP2N5C27H61 (1)
Stoich.:	ABC2D5E27F61 (1)
Weight, g/mol:	742.25101
ΔH_f, kcal/mol:	-68.71
Dipole, Da:	14.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753964
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl(2-methanidylpropan-2-yl)phosphanium;ethane-1,1-diol;palladium

Drug info:

PubChemData

Smile

[CH3-].CC(C)CN1CCN2CCN(P1(=N[PH+](C(C)(C)C)C(C)(C)C)N(CC2)CC(C)C)CC(C)C.Cl[Pd+]

DOS

IR

Vibrations