Geometry & MOs

Info

ID:	386342
PubChem CID:	134981453
Reduced:	MnO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	402.985554
ΔH_f, kcal/mol:	111.19
Dipole, Da:	8.0
IP(EA), eV:	-6.14(-4.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C1=CC=C[CH]1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]

DOS

IR

Vibrations