Geometry & MOs

Info

ID:	384729
PubChem CID:	134977582
Reduced:	PO2C26H36 (1)
Stoich.:	AB2C26D36 (1)
Weight, g/mol:	474.06095
ΔH_f, kcal/mol:	-81.24
Dipole, Da:	9.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757570
Charge, e:	0

Chem-info

IUPAC name:

4-(iodo-methyl-diphenyl-lambda5-phosphanyl)-4-phenylbutan-2-one

Drug info:

PubChemData

Smile

CCCC[P+](CCCC)(C1=CC=CC=C1)C(C2=CC=CC=C2)/C(=C(/C)\O)/C(=O)C

DOS

IR

Vibrations