Geometry & MOs

Info

ID:	389253
PubChem CID:	134991854
Reduced:	BPdN3F4C12H15 (1)
Stoich.:	ABC3D4E12F15 (1)
Weight, g/mol:	562.197925
ΔH_f, kcal/mol:	-229.84
Dipole, Da:	13.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774911
Charge, e:	0

Chem-info

IUPAC name:

(15-diphenylphosphanyl-3-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)-diphenylphosphane

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CC=C.CC1=CC(=NN1)C2=CC=CC=N2.[Pd]

DOS

IR

Vibrations