Geometry & MOs

Info

ID:	411175
PubChem CID:	135083986
Reduced:	BrP3C12H29 (1)
Stoich.:	AB3C12D29 (1)
Weight, g/mol:	556.195603
ΔH_f, kcal/mol:	-106.2
Dipole, Da:	5.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751623
Charge, e:	0

Chem-info

IUPAC name:

1,8,9,10,11-pentakis-phenyl-11lambda5-phosphatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene 11-oxide

Drug info:

PubChemData

Smile

CC(C)P(C(C)C)P=P(C(C)C)(C(C)C)Br

DOS

IR

Vibrations