Geometry & MOs

Info

ID:	410137
PubChem CID:	135082928
Reduced:	MnF2H2O5C8 (2)
Stoich.:	AB2C2D5E8 (2)
Weight, g/mol:	261.87999
ΔH_f, kcal/mol:	-209.77
Dipole, Da:	4.94
IP(EA), eV:	-7.82(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-benzodiselenine

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C(C[C-]=C(F)F)[C-]=C(F)F.[Mn].[Mn]

DOS

IR

Vibrations