Geometry & MOs

Info

ID:	386684
PubChem CID:	134982530
Reduced:	MnPO3C11H11 (2)
Stoich.:	ABC3D11E11 (2)
Weight, g/mol:	400.150975
ΔH_f, kcal/mol:	30.6
Dipole, Da:	2.38
IP(EA), eV:	-6.73(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(3,4-dimethyl-1H-phosphol-2-yl)-1,2-diphenylethenyl]-3,4-dimethyl-1H-phosphole

Drug info:

PubChemData

Smile

CC1=CPC(=C1C)/C(=C(/C)\C2=C(C(=CP2)C)C)/C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].[Mn]

DOS

IR

Vibrations