Geometry & MOs

Info

ID:	390081
PubChem CID:	134996976
Reduced:	MoPO5H14C21 (1)
Stoich.:	ABC5D14E21 (1)
Weight, g/mol:	498.993169
ΔH_f, kcal/mol:	150.16
Dipole, Da:	8.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.140634
Charge, e:	1

Chem-info

IUPAC name:

carbon monoxide;3-methyl-3H-3-benzophosphepin-3-ium;tungsten

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)[PH+]2C=CC3=CC=CC=C3C=C2.[Mo]

DOS

IR

Vibrations