Geometry & MOs

Info

ID:	177524
PubChem CID:	76197451
Reduced:	Fe2C5H5O5P5F15 (1)
Stoich.:	A2B5C5D5E5F15 (1)
Weight, g/mol:	227.093773
ΔH_f, kcal/mol:	-1461.84
Dipole, Da:	1.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.793722
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-aminophenyl)ethylideneamino]guanidine;hydrochloride

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].F[PH+](F)F.F[PH+](F)F.F[PH+](F)F.F[PH+](F)F.F[PH+](F)F.[Fe].[Fe]

DOS

IR

Vibrations