Geometry & MOs

Info

ID:	225985
PubChem CID:	87246544
Reduced:	IBr2N2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	540.234704
ΔH_f, kcal/mol:	98.76
Dipole, Da:	6.83
IP(EA), eV:	-8.4(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-cyclohexyl-1-diphenylphosphoryl-2-methylpropyl)-phenylphosphoryl]benzene

Drug info:

PubChemData

Smile

C1CCC(CC1)C#CC2=C(C=CC(=C2)Br)N.C1=CC=C(C(=C1)NBr)I

DOS

IR

Vibrations