Geometry & MOs

Info

ID:	25981
PubChem CID:	635181
Reduced:	N2P2Fe3O9H20C24 (1)
Stoich.:	A2B2C3D9E20F24 (1)
Weight, g/mol:	139.055086
ΔH_f, kcal/mol:	489.78
Dipole, Da:	3.22
IP(EA), eV:	-7.65(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-phosphanylaniline

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)P.CN(C1=CC=CC=C1)P=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Fe]

DOS

IR

Vibrations