Geometry & MOs

Info

ID:	387065
PubChem CID:	134983829
Reduced:	PWO5C15H17 (1)
Stoich.:	ABC5D15E17 (1)
Weight, g/mol:	259.021322
ΔH_f, kcal/mol:	-155.74
Dipole, Da:	5.68
IP(EA), eV:	-6.92(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-phenylprop-2-ynyl(propan-2-yl)amino]phosphanylideneiron

Drug info:

PubChemData

Smile

CC1=C([C](C(=C1C)C)C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].P=[W]

DOS

IR

Vibrations